Diff of the two buildlogs: -- --- b1/build.log 2025-09-11 12:39:11.342190992 +0000 +++ b2/build.log 2025-09-11 11:51:11.118632951 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Wed Sep 10 23:51:13 -12 2025 -I: pbuilder-time-stamp: 1757591473 +I: Current time: Thu Oct 15 07:04:25 +14 2026 +I: pbuilder-time-stamp: 1791997465 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/forky-reproducible-base.tgz] I: copying local configuration @@ -27,53 +27,85 @@ dpkg-source: info: applying remove_youtube_links_from_docs.patch I: Not using root during the build. I: Installing the build-deps -I: user script /srv/workspace/pbuilder/1810612/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/2686405/tmp/hooks/D01_modify_environment starting +debug: Running on ionos5-amd64. +I: Changing host+domainname to test build reproducibility +I: Adding a custom variable just for the fun of it... +I: Changing /bin/sh to bash +'/bin/sh' -> '/bin/bash' +lrwxrwxrwx 1 root root 9 Oct 14 17:05 /bin/sh -> /bin/bash +I: Setting pbuilder2's login shell to /bin/bash +I: Setting pbuilder2's GECOS to second user,second room,second work-phone,second home-phone,second other +I: user script /srv/workspace/pbuilder/2686405/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/2686405/tmp/hooks/D02_print_environment starting I: set - BUILDDIR='/build/reproducible-path' - BUILDUSERGECOS='first user,first room,first work-phone,first home-phone,first other' - BUILDUSERNAME='pbuilder1' - BUILD_ARCH='amd64' - DEBIAN_FRONTEND='noninteractive' - DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=40 ' - DISTRIBUTION='forky' - HOME='/root' - HOST_ARCH='amd64' + BASH=/bin/sh + BASHOPTS=checkwinsize:cmdhist:complete_fullquote:extquote:force_fignore:globasciiranges:globskipdots:hostcomplete:interactive_comments:patsub_replacement:progcomp:promptvars:sourcepath + BASH_ALIASES=() + BASH_ARGC=() + BASH_ARGV=() + BASH_CMDS=() + BASH_LINENO=([0]="12" [1]="0") + BASH_LOADABLES_PATH=/usr/local/lib/bash:/usr/lib/bash:/opt/local/lib/bash:/usr/pkg/lib/bash:/opt/pkg/lib/bash:. + BASH_SOURCE=([0]="/tmp/hooks/D02_print_environment" [1]="/tmp/hooks/D02_print_environment") + BASH_VERSINFO=([0]="5" [1]="3" [2]="3" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.3.3(1)-release' + BUILDDIR=/build/reproducible-path + BUILDUSERGECOS='second user,second room,second work-phone,second home-phone,second other' + BUILDUSERNAME=pbuilder2 + BUILD_ARCH=amd64 + DEBIAN_FRONTEND=noninteractive + DEB_BUILD_OPTIONS='buildinfo=+all reproducible=+all parallel=42 ' + DIRSTACK=() + DISTRIBUTION=forky + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='a8dcd5dd5319430a9d780aeaa6621f65' - LANG='C' - LANGUAGE='en_US:en' - LC_ALL='C' - MAIL='/var/mail/root' - OPTIND='1' - PATH='/usr/sbin:/usr/bin:/sbin:/bin:/usr/games' - PBCURRENTCOMMANDLINEOPERATION='build' - PBUILDER_OPERATION='build' - PBUILDER_PKGDATADIR='/usr/share/pbuilder' - PBUILDER_PKGLIBDIR='/usr/lib/pbuilder' - PBUILDER_SYSCONFDIR='/etc' - PPID='1810612' - PS1='# ' - PS2='> ' + INVOCATION_ID=2ee20d8a6dae4f6cb6ae5ec254fa947a + LANG=C + LANGUAGE=et_EE:et + LC_ALL=C + MACHTYPE=x86_64-pc-linux-gnu + MAIL=/var/mail/root + OPTERR=1 + OPTIND=1 + OSTYPE=linux-gnu + PATH=/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path + PBCURRENTCOMMANDLINEOPERATION=build + PBUILDER_OPERATION=build + PBUILDER_PKGDATADIR=/usr/share/pbuilder + PBUILDER_PKGLIBDIR=/usr/lib/pbuilder + PBUILDER_SYSCONFDIR=/etc + PIPESTATUS=([0]="0") + POSIXLY_CORRECT=y + PPID=2686405 PS4='+ ' - PWD='/' - SHELL='/bin/bash' - SHLVL='2' - SUDO_COMMAND='/usr/bin/timeout -k 18.1h 18h /usr/bin/ionice -c 3 /usr/bin/nice /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.BuuH9Tep/pbuilderrc_RkP1 --distribution forky --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/forky-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.BuuH9Tep/b1 --logfile b1/build.log cp2k_2025.1-1.1.dsc' - SUDO_GID='110' - SUDO_HOME='/var/lib/jenkins' - SUDO_UID='105' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://46.16.76.132:3128' + PWD=/ + SHELL=/bin/bash + SHELLOPTS=braceexpand:errexit:hashall:interactive-comments:posix + SHLVL=3 + SUDO_COMMAND='/usr/bin/timeout -k 24.1h 24h /usr/bin/ionice -c 3 /usr/bin/nice -n 11 /usr/bin/unshare --uts -- /usr/sbin/pbuilder --build --configfile /srv/reproducible-results/rbuild-debian/r-b-build.BuuH9Tep/pbuilderrc_R5QD --distribution forky --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/forky-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.BuuH9Tep/b2 --logfile b2/build.log cp2k_2025.1-1.1.dsc' + SUDO_GID=110 + SUDO_HOME=/var/lib/jenkins + SUDO_UID=105 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://213.165.73.152:3128 I: uname -a - Linux ionos1-amd64 6.12.43+deb13-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.43-1 (2025-08-27) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.12.43+deb13-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.43-1 (2025-08-27) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Aug 10 12:30 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/1810612/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Aug 10 2025 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/2686405/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -370,7 +402,7 @@ Get: 213 http://deb.debian.org/debian forky/main amd64 python3-sphinxcontrib.jquery all 4.1-5 [7348 B] Get: 214 http://deb.debian.org/debian forky/main amd64 python3-sphinx-rtd-theme all 3.0.2+dfsg-3 [29.7 kB] Get: 215 http://deb.debian.org/debian forky/main amd64 python3-sphinxcontrib-mermaid all 1.0.0-1 [4816 kB] -Fetched 326 MB in 53s (6133 kB/s) +Fetched 326 MB in 1min 5s (4985 kB/s) Preconfiguring packages ... Selecting previously unselected package m4. (Reading database ... (Reading database ... 5% (Reading database ... 10% (Reading database ... 15% (Reading database ... 20% (Reading database ... 25% (Reading database ... 30% (Reading database ... 35% (Reading database ... 40% (Reading database ... 45% (Reading database ... 50% (Reading database ... 55% (Reading database ... 60% (Reading database ... 65% (Reading database ... 70% (Reading database ... 75% (Reading database ... 80% (Reading database ... 85% (Reading database ... 90% (Reading database ... 95% (Reading database ... 100% (Reading database ... 21054 files and directories currently installed.) @@ -1066,8 +1098,8 @@ Setting up tzdata (2025b-5) ... Current default time zone: 'Etc/UTC' -Local time is now: Thu Sep 11 11:54:23 UTC 2025. -Universal Time is now: Thu Sep 11 11:54:23 UTC 2025. +Local time is now: Wed Oct 14 17:10:48 UTC 2026. +Universal Time is now: Wed Oct 14 17:10:48 UTC 2026. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up libdbcsr-dev (2.8.0-3) ... @@ -1438,7 +1470,11 @@ Building tag database... -> Finished parsing the build-deps I: Building the package -I: Running cd /build/reproducible-path/cp2k-2025.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games" HOME="/nonexistent/first-build" dpkg-genchanges -S > ../cp2k_2025.1-1.1_source.changes +I: user script /srv/workspace/pbuilder/2686405/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for forky +I: user script /srv/workspace/pbuilder/2686405/tmp/hooks/A99_set_merged_usr finished +hostname: Name or service not known +I: Running cd /build/reproducible-path/cp2k-2025.1/ && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-buildpackage -us -uc -b && env PATH="/usr/sbin:/usr/bin:/sbin:/bin:/usr/games:/i/capture/the/path" HOME="/nonexistent/second-build" dpkg-genchanges -S > ../cp2k_2025.1-1.1_source.changes dpkg-buildpackage: info: source package cp2k dpkg-buildpackage: info: source version 2025.1-1.1 dpkg-buildpackage: info: source distribution unstable @@ -1470,9 +1506,9 @@ rm -f arch/Linux-`uname -m`-gfortran.* rm -rf LAST* TEST* dh_auto_clean - make -j40 distclean + make -j42 distclean make[2]: Entering directory '/build/reproducible-path/cp2k-2025.1' -make[2]: warning: -j40 forced in submake: resetting jobserver mode. +make[2]: warning: -j42 forced in submake: resetting jobserver mode. Discovering programs ... Makefile:419: update target 'precommitclean' due to: target is .PHONY rm -rf /build/reproducible-path/cp2k-2025.1/obj/precommit @@ -1518,7 +1554,7 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/check_archives.py ar /build/reproducible-path/cp2k-2025.1/src /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp echo "Resolving dependencies for psmp ... " Resolving dependencies for psmp ... -/build/reproducible-path/cp2k-2025.1/tools/build_utils/makedep.py /build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep cp2k "lower" "normal" .a /build/reproducible-path/cp2k-2025.1/src ./qs_kinetic.F ./mp2_ri_2c.F ./pao_param_fock.F ./qs_fb_atomic_matrix_methods.F ./fist_intra_force.F ./qs_linres_methods.F ./pao_ml.F ./qs_linres_epr_nablavks.F ./qs_initial_guess.F ./hartree_local_methods.F ./pao_potentials.F ./hirshfeld_methods.F ./qs_dftb_types.F ./cp2k_debug.F ./input_cp2k_thermostats.F ./xas_tdp_atom.F ./lri_environment_methods.F ./hirshfeld_types.F ./debug_os_integrals.F ./qs_dftb_utils.F ./semi_empirical_int_ana.F ./qs_fb_filter_matrix_methods.F ./input_cp2k_subsys.F ./topology_cp2k.F ./se_core_matrix.F ./eip_environment.F ./qs_commutators.F ./qmmm_gaussian_data.F ./qs_diis_types.F ./qs_active_space_types.F ./topology_pdb.F ./almo_scf_types.F ./qs_o3c_types.F ./input_cp2k_neb.F ./xtb_matrices.F ./input_cp2k_field.F ./kpoint_coulomb_2c.F ./qs_block_davidson_types.F ./qs_dftb3_methods.F ./qs_loc_main.F ./qs_overlap.F ./mulliken.F ./qs_ks_methods.F ./qs_tensors_types.F ./tmc/tmc_setup.F ./tmc/tmc_tree_search.F ./tmc/tmc_move_types.F ./tmc/tmc_file_io.F ./tmc/tmc_master.F ./tmc/tmc_utils.F ./tmc/tmc_messages.F ./tmc/tmc_calculations.F ./tmc/tmc_tree_types.F ./tmc/tmc_cancelation.F ./tmc/tmc_tree_references.F ./tmc/tmc_tree_build.F ./tmc/tmc_worker.F ./tmc/tmc_stati.F ./tmc/tmc_types.F ./tmc/tmc_analysis.F ./tmc/tmc_tree_acceptance.F ./tmc/tmc_moves.F ./tmc/input_cp2k_tmc.F ./tmc/tmc_dot_tree.F ./tmc/tmc_move_handle.F ./tmc/tmc_analysis_types.F ./pwdft_environment.F ./manybody_eam.F ./rpa_exchange.F ./dm_ls_chebyshev.F ./input_cp2k_read.F ./qmmm_gaussian_input.F ./optbas_opt_utils.F ./qs_linres_op.F ./optimize_embedding_potential.F ./kg_environment_types.F ./force_field_types.F ./qmmm_force.F ./force_fields_util.F ./atom_fit.F ./qs_linres_current_utils.F ./input_restart_rng.F ./admm_dm_types.F ./xas_tdp_integrals.F ./kg_tnadd_mat.F ./hfx_load_balance_methods.F ./semi_empirical_int_arrays.F ./mp2_gpw_method.F ./pao_ml_descriptor.F ./mdctrl_types.F ./qs_scf.F ./ipi_environment_types.F ./hfx_types.F ./cp_ddapc_methods.F ./motion/geo_opt.F ./motion/helium_sampling.F ./motion/averages_types.F ./motion/mc/tamc_run.F ./motion/mc/mc_ge_moves.F ./motion/mc/mc_coordinates.F ./motion/mc/mc_moves.F ./motion/mc/mc_control.F ./motion/mc/mc_ensembles.F ./motion/mc/mc_move_control.F ./motion/mc/mc_run.F ./motion/mc/mc_types.F ./motion/mc/mc_environment_types.F ./motion/mc/mc_misc.F ./motion/pint_public.F ./motion/md_ener_types.F ./motion/cell_opt_types.F ./motion/helium_worm.F ./motion/reftraj_types.F ./motion/input_cp2k_restarts.F ./motion/free_energy_methods.F ./motion/cp_lbfgs_optimizer_gopt.F ./motion/neb_utils.F ./motion/cell_opt.F ./motion/gopt_param_types.F ./motion/pint_piglet.F ./motion/simpar_methods.F ./motion/thermal_region_utils.F ./motion/input_cp2k_md.F ./motion/cg_utils.F ./motion/pint_qtb.F ./motion/md_conserved_quantities.F ./motion/pint_methods.F ./motion/gopt_f77_methods.F ./motion/rt_propagation.F ./motion/helium_types.F ./motion/cp_lbfgs.F ./motion/helium_common.F ./motion/pint_transformations.F ./motion/md_environment_types.F ./motion/reftraj_util.F ./motion/integrator.F ./motion/gopt_f_types.F ./motion/dimer_types.F ./motion/neb_opt_utils.F ./motion/dumpdcd.F ./motion/helium_nnp.F ./motion/md_vel_utils.F ./motion/helium_methods.F ./motion/space_groups.F ./motion/md_util.F ./motion/pint_io.F ./motion/pint_staging.F ./motion/neb_types.F ./motion/helium_interactions.F ./motion/bfgs_optimizer.F ./motion/pint_types.F ./motion/cell_opt_utils.F ./motion/velocity_verlet_control.F ./motion/shell_opt.F ./motion/glbopt_callback.F ./motion/gopt_f_methods.F ./motion/dimer_utils.F ./motion/pint_normalmode.F ./motion/mdctrl_methods.F ./motion/helium_io.F ./motion/md_run.F ./motion/neb_io.F ./motion/thermal_region_types.F ./motion/vibrational_analysis.F ./motion/neb_methods.F ./motion/dimer_methods.F ./motion/cg_optimizer.F ./motion/space_groups_types.F ./motion/xyz2dcd.F ./motion/md_energies.F ./motion/input_cp2k_vib.F ./motion/neb_md_utils.F ./motion/pint_pile.F ./motion/pint_gle.F ./motion/cp_lbfgs_geo.F ./motion/wiener_process.F ./motion/thermostat/csvr_system_dynamics.F ./motion/thermostat/input_cp2k_barostats.F ./motion/thermostat/barostat_utils.F ./motion/thermostat/extended_system_init.F ./motion/thermostat/csvr_system_mapping.F ./motion/thermostat/gle_system_dynamics.F ./motion/thermostat/barostat_types.F ./motion/thermostat/al_system_dynamics.F ./motion/thermostat/thermostat_methods.F ./motion/thermostat/csvr_system_init.F ./motion/thermostat/al_system_mapping.F ./motion/thermostat/al_system_init.F ./motion/thermostat/thermostat_mapping.F ./motion/thermostat/extended_system_mapping.F ./motion/thermostat/extended_system_dynamics.F ./motion/thermostat/thermostat_types.F ./motion/thermostat/thermostat_utils.F ./motion/integrator_utils.F ./qmmm_topology_util.F ./qs_tddfpt2_methods.F ./graphcon.F ./qs_linres_nmr_utils.F ./qs_vxc.F ./qs_scf_post_tb.F ./mp2_grids.F ./qs_pdos.F ./qs_tddfpt2_lri_utils.F ./global_types.F ./kpoint_transitional.F ./pme_tools.F ./optimize_basis.F ./xas_tdp_types.F ./nequip_unittest.F ./sirius_interface.F ./cp_control_types.F ./sap_kind_types.F ./qs_localization_methods.F ./pexsi_methods.F ./semi_empirical_int_utils.F ./semi_empirical_expns3_methods.F ./qs_neighbor_lists.F ./f77_interface.F ./almo_scf_optimizer.F ./soc_pseudopotential_utils.F ./qs_fb_env_types.F ./wannier90.F ./manybody_tersoff.F ./outer_scf_control_types.F ./qs_tddfpt2_stda_utils.F ./qs_scf_csr_write.F ./group_dist_types.F ./topology_connectivity_util.F ./block_p_types.F ./qs_loc_dipole.F ./xtb_parameters.F ./pao_ml_gaussprocess.F ./topology_xtl.F ./negf_methods.F ./efield_tb_methods.F ./force_env_methods.F ./gw_main.F ./aobasis/paw_basis_types.F ./aobasis/ai_operators_r12.F ./aobasis/aux_basis_set.F ./aobasis/ao_util.F ./aobasis/ai_derivatives.F ./aobasis/ai_overlap3_debug.F ./aobasis/orbital_pointers.F ./aobasis/ai_operator_ra2m.F ./aobasis/ai_contraction.F ./aobasis/orbital_transformation_matrices.F ./aobasis/ai_fermi_contact.F ./aobasis/ai_coulomb.F ./aobasis/ai_eri_debug.F ./aobasis/ai_overlap_ppl.F ./aobasis/ai_coulomb_test.F ./aobasis/basis_set_container_types.F ./aobasis/ai_contraction_sphi.F ./aobasis/ai_oneelectron.F ./aobasis/ai_kinetic.F ./aobasis/ai_os_rr.F ./aobasis/ai_onecenter.F ./aobasis/basis_set_types.F ./aobasis/ai_overlap_aabb.F ./aobasis/ai_overlap.F ./aobasis/sto_ng.F ./aobasis/orbital_symbols.F ./aobasis/ai_moments.F ./aobasis/ai_overlap_debug.F ./aobasis/ai_overlap3.F ./aobasis/ai_elec_field.F ./aobasis/ai_spin_orbit.F ./aobasis/soft_basis_set.F ./aobasis/ai_verfc.F ./aobasis/ai_angmom.F ./dm_ls_scf_types.F ./qs_fb_input.F ./qs_kernel_methods.F ./qs_harris_types.F ./qs_efield_local.F ./dft_plus_u.F ./qs_vcd.F ./stm_images.F ./qs_dftb_parameters.F ./input_optimize_basis.F ./rpa_im_time.F ./rpa_grad.F ./topology_multiple_unit_cell.F ./qs_gcp_types.F ./lri_optimize_ri_basis.F ./qs_dispersion_types.F ./dbt/dbt_allocate_wrap.F ./dbt/dbt_io.F ./dbt/dbt_split.F ./dbt/dbt_methods.F ./dbt/tas/dbt_tas_types.F ./dbt/tas/dbt_tas_util.F ./dbt/tas/dbt_tas_test.F ./dbt/tas/dbt_tas_io.F ./dbt/tas/dbt_tas_global.F ./dbt/tas/dbt_tas_base.F ./dbt/tas/dbt_tas_split.F ./dbt/tas/dbt_tas_reshape_ops.F ./dbt/tas/dbt_tas_mm.F ./dbt/tas/dbt_tas_unittest.F ./dbt/dbt_reshape_ops.F ./dbt/dbt_test.F ./dbt/dbt_index.F ./dbt/dbt_unittest.F ./dbt/dbt_block.F ./dbt/dbt_array_list_methods.F ./dbt/dbt_api.F ./dbt/dbt_types.F ./atom_utils.F ./tip_scan_types.F ./constraint_util.F ./qs_atomic_block.F ./qs_scf_post_scf.F ./qs_diis.F ./atom_output.F ./topology_psf.F ./qs_subsys_types.F ./qs_loc_utils.F ./qs_loc_molecules.F ./submatrix_types.F ./qs_density_matrices.F ./lri_compression.F ./wannier_states_types.F ./cp_ddapc.F ./qs_mo_methods.F ./constraint_clv.F ./topology.F ./qs_gcp_utils.F ./integration_grid_types.F ./efield_utils.F ./qs_fb_matrix_data_types.F ./semi_empirical_int_debug.F ./kpoint_methods.F ./embed_types.F ./gw_kp_to_real_space_and_back.F ./qs_nonscf.F ./manybody_allegro.F ./negf_alloc_types.F ./qs_dispersion_utils.F ./eeq_data.F ./mixed_cdft_utils.F ./pair_potential_types.F ./ec_efield_local.F ./qs_dftb_dispersion.F ./cryssym.F ./fist_environment_types.F ./qs_external_density.F ./qs_charge_mixing.F ./qs_tddfpt2_properties.F ./qs_dcdr.F ./ipi_driver.F ./et_coupling_types.F ./scine_utils.F ./qs_mfp.F ./admm_dm_methods.F ./input_cp2k_qs.F ./hfxbase/hfx_compression_core_methods.F ./hfxbase/hfx_contraction_methods.F ./hfxbase/hfx_contract_block.F ./input/input_parsing.F ./input/cp_linked_list_input.F ./input/cp_parser_methods.F ./input/cp_parser_status_types.F ./input/cp_parser_inpp_types.F ./input/input_section_types.F ./input/cp_parser_ilist_types.F ./input/input_keyword_types.F ./input/cp_parser_buffer_types.F ./input/cp_parser_ilist_methods.F ./input/cp_parser_inpp_methods.F ./input/input_enumeration_types.F ./input/cp_output_handling.F ./input/cp_parser_types.F ./input/input_val_types.F ./mp2_cphf.F ./qs_p_env_types.F ./gapw_1c_basis_set.F ./pao_param.F ./qs_tddfpt_types.F ./se_fock_matrix_integrals.F ./hfx_energy_potential.F ./qs_dispersion_d4.F ./preconditioner_types.F ./xtb_potentials.F ./atom_energy.F ./atom_electronic_structure.F ./pao_param_equi.F ./qs_vcd_utils.F ./qs_dispersion_cnum.F ./xtb_ehess_force.F ./qs_dispersion_pairpot.F ./mpiwrap/mp_perf_env.F ./mpiwrap/message_passing.F ./mpiwrap/mp_perf_test.F ./qmmm_gaussian_init.F ./fermi_utils.F ./xas_tdp_correction.F ./moments_utils.F ./pao_types.F ./qs_tddfpt2_soc_types.F ./qs_wannier90.F ./commutator_rkinetic.F ./qs_ks_qmmm_types.F ./rmsd.F ./bse_main.F ./mao_optimizer.F ./negf_integr_cc.F ./negf_integr_simpson.F ./rpa_util.F ./pair_potential.F ./dm_ls_scf_curvy.F ./input_cp2k_tb.F ./core_ppnl.F ./qs_tddfpt_utils.F ./input_cp2k_kpoints.F ./qs_wf_history_types.F ./mode_selective.F ./qs_scf_diagonalization.F ./qs_dcdr_ao.F ./nnp_force.F ./force_fields_input.F ./rpa_im_time_force_types.F ./qmmm_types_low.F ./qcschema.F ./hfx_libint_interface.F ./atoms_input.F ./input_cp2k_atom.F ./basis_set_output.F ./kg_vertex_coloring_methods.F ./almo_scf.F ./ewald_spline_util.F ./qs_mom_methods.F ./csvr_system_utils.F ./qs_ot_scf.F ./rpa_gw_kpoints_util.F ./preconditioner_makes.F ./constraint_fxd.F ./rt_propagation_velocity_gauge.F ./exstates_types.F ./constraint_vsite.F ./uff_vdw_radii_table.F ./qs_mo_io.F ./hfx_screening_methods.F ./cp_subsys_methods.F ./qs_kpp1_env_types.F ./extended_system_types.F ./et_coupling_proj.F ./input_restart_force_eval.F ./eri_mme/eri_mme_integrate.F ./eri_mme/eri_mme_util.F ./eri_mme/eri_mme_gaussian.F ./eri_mme/eri_mme_test.F ./eri_mme/eri_mme_lattice_summation.F ./eri_mme/eri_mme_types.F ./eri_mme/eri_mme_error_control.F ./qs_matrix_pools.F ./cp_external_control.F ./input_cp2k_colvar.F ./admm_types.F ./qs_efield_berry.F ./mixed_environment.F ./semi_empirical_mpole_methods.F ./mixed_cdft_methods.F ./qs_energy_utils.F ./ec_environment.F ./ct_methods.F ./virial_methods.F ./topology_cif.F ./constraint.F ./qs_linres_module.F ./pexsi_types.F ./qs_active_space_utils.F ./dbcsrx/dbcsr_vector.F ./qs_linres_nmr_epr_common_utils.F ./qs_linres_kernel.F ./cp_ddapc_forces.F ./eeq_method.F ./min_basis_set.F ./ipi_server.F ./pao_model.F ./qs_cdft_types.F ./topology_util.F ./qs_electric_field_gradient.F ./gw_communication.F ./input_cp2k_exstate.F ./mscfg_types.F ./pao_main.F ./energy_corrections.F ./qs_rho_atom_types.F ./colvar_utils.F ./qs_mixing_utils.F ./topology_constraint_util.F ./qs_outer_scf.F ./pao_param_methods.F ./negf_integr_utils.F ./qmmmx_create.F ./farming_methods.F ./qmmm_per_elpot.F ./topology_gromos.F ./rpa_gw_sigma_x.F ./simpar_types.F ./qs_environment_methods.F ./input_cp2k_as.F ./xtb_eeq.F ./qs_tddfpt2_stda_types.F ./splines_methods.F ./qs_rho0_methods.F ./fist_nonbond_force.F ./input_cp2k_poisson.F ./metadynamics.F ./se_fock_matrix_coulomb.F ./dkh_main.F ./qs_scf_loop_utils.F ./pao_ml_neuralnet.F ./base/machine.F ./base/kinds.F ./base/base_hooks.F ./xray_diffraction.F ./almo_scf_diis_types.F ./qs_scf_post_gpw.F ./mp2.F ./qs_scf_wfn_mix.F ./pw_env_methods.F ./input_cp2k_motion_print.F ./qs_oce_methods.F ./eeq_input.F ./mixed_environment_utils.F ./matrix_exp.F ./parallel_gemm_api.F ./qs_ks_reference.F ./input_cp2k_pwdft.F ./qs_scf_block_davidson.F ./input_cp2k_rsgrid.F ./paw_proj_set_types.F ./nnp_environment_types.F ./cp_realspace_grid_init.F ./statistical_methods.F ./qs_scf_output.F ./domain_submatrix_types.F ./qs_environment_types.F ./voronoi_interface.F ./input_cp2k_properties_dft.F ./smeagol_control_types.F ./qs_force.F ./almo_scf_methods.F ./trexio.F ./manybody_gal.F ./soc_pseudopotential_methods.F ./auto_basis.F ./pao_linpot_full.F ./input_cp2k_eip.F ./qs_linres_current.F ./qmmm_util.F ./kg_correction.F ./atom_types.F ./negf_vectors.F ./beta_gamma_psi.F ./dbx/cp_dbcsr_api.F ./rpa_gw.F ./xc_write_output.F ./xas_env_types.F ./lri_optimize_ri_basis_types.F ./core_ppl.F ./hartree_local_types.F ./fist_neighbor_list_types.F ./pao_param_exp.F ./localization_tb.F ./qs_dcdr_utils.F ./gw_small_cell_full_kp.F ./mp2_direct_method.F ./qmmm_tb_methods.F ./embed_main.F ./molecular_moments.F ./qs_moments.F ./qs_o3c_methods.F ./ed_analysis.F ./semi_empirical_int_num.F ./hfx_pair_list_methods.F ./cp_dbcsr_output.F ./negf_green_cache.F ./input_cp2k_mixed.F ./minbas_wfn_analysis.F ./qs_tddfpt_module.F ./qs_energy_init.F ./atom_admm_methods.F ./qmmm_image_charge.F ./input_cp2k_check.F ./mao_basis.F ./ewald_pw_types.F ./population_analyses.F ./semi_empirical_mpole_types.F ./qs_core_hamiltonian.F ./qs_subsys_methods.F ./pao_linpot_rotinv.F ./optimize_basis_utils.F ./topology_input.F ./gw_integrals.F ./topology_types.F ./manybody_siepmann.F ./mixed_main.F ./qs_ks_apply_restraints.F ./qs_scf_lanczos.F ./subcell_types.F ./colvar_methods.F ./xas_tp_scf.F ./ri_environment_methods.F ./cp2k_info.F ./qs_gamma2kp.F ./xtb_coulomb.F ./pao_methods.F ./gle_system_types.F ./pexsi_interface.F ./qs_tddfpt2_restart.F ./motion_utils.F ./semi_empirical_types.F ./semi_empirical_utils.F ./metadynamics_types.F ./cp_dbcsr_cp2k_link.F ./force_env_utils.F ./cell_methods.F ./semi_empirical_int_gks.F ./cp_ddapc_types.F ./topology_xyz.F ./xc_adiabatic_methods.F ./rpa_im_time_force_methods.F ./qs_p_env_methods.F ./qmmm_tb_coulomb.F ./ipi_environment.F ./qs_energy_window.F ./qs_chargemol.F ./cp_ddapc_util.F ./qs_tddfpt2_types.F ./post_scf_bandstructure_utils.F ./transport_env_types.F ./fm/cp_fm_dlaf_api.F ./fm/cp_cfm_dlaf_api.F ./fm/cp_cfm_basic_linalg.F ./fm/cp_fm_diag.F ./fm/cp_fm_pool_types.F ./fm/cp_dlaf_utils_api.F ./fm/cp_fm_cusolver_api.F ./fm/cp_fm_cholesky.F ./fm/cp_blacs_env.F ./fm/cp_cfm_cholesky.F ./fm/cp_linked_list_fm.F ./fm/cp_fm_elpa.F ./fm/cp_fm_struct.F ./fm/cp_cfm_diag.F ./fm/cp_fm_diag_utils.F ./fm/cp_blacs_types.F ./fm/cp_cfm_types.F ./fm/cp_fm_basic_linalg.F ./fm/cp_fm_types.F ./xas_tdp_methods.F ./cp_dbcsr_operations.F ./post_scf_bandstructure_methods.F ./qs_loc_types.F ./mp2_ri_libint.F ./lri_integrals.F ./qmmm_gpw_energy.F ./ct_types.F ./input_cp2k_dft.F ./hfx_compression_methods.F ./mao_methods.F ./start/cp2k.F ./start/libcp2k.F ./start/cp2k_shell.F ./start/input_cp2k.F ./start/cp2k_runs.F ./start/input_cp2k_motion.F ./optimize_dmfet_potential.F ./almo_scf_qs.F ./qs_fb_distribution_methods.F ./free_energy_types.F ./grrm_utils.F ./semi_empirical_par_utils.F ./iao_analysis.F ./qs_scf_methods.F ./admm_utils.F ./ec_orth_solver.F ./input_cp2k_nnp.F ./atom_basis.F ./atom_operators.F ./input_cp2k_projection_rtp.F ./qs_grid_atom.F ./qs_elec_field.F ./qs_tddfpt2_forces.F ./qs_environment.F ./topology_generate_util.F ./qs_linres_issc_utils.F ./qmmm_init.F ./xas_tdp_utils.F ./minbas_methods.F ./replica_methods.F ./optimize_input.F ./shg_int/construct_shg.F ./shg_int/generic_shg_integrals.F ./shg_int/s_contract_shg.F ./shg_int/constants_operator.F ./shg_int/generic_shg_integrals_init.F ./qmmm_links_methods.F ./qs_update_s_mstruct.F ./molsym.F ./negf_atom_map.F ./qs_matrix_w.F ./qmmm_elpot.F ./force_fields_ext.F ./qs_fb_hash_table_types.F ./fist_main.F ./hfx_derivatives.F ./qs_eht_guess.F ./qs_sccs.F ./se_fock_matrix_exchange.F ./mm_mapping_library.F ./fist_nonbond_env_types.F ./input_cp2k_hfx.F ./atom_grb.F ./qmmmx_update.F ./qs_integrate_potential_single.F ./grid/grid_api.F ./ec_env_types.F ./exclusion_types.F ./rel_control_types.F ./qs_oce_types.F ./mp2_types.F ./gw_utils.F ./qmmm_ff_fist.F ./mp2_laplace.F ./atom_kind_orbitals.F ./topology_amber.F ./fp_methods.F ./input_cp2k_embed.F ./transport.F ./input_cp2k_harris.F ./qs_condnum.F ./qs_tddfpt_eigensolver.F ./hfx_ri.F ./atom_pseudo.F ./qs_kind_types.F ./dgemm_counter_types.F ./mp2_ri_grad_util.F ./almo_scf_lbfgs_types.F ./qs_rho0_ggrid.F ./qs_tensors.F ./qs_cdft_scf_utils.F ./xtb_ehess.F ./qs_dispersion_nonloc.F ./negf_env_types.F ./ex_property_calculation.F ./ewald_environment_types.F ./libint_wrapper.F ./qmmmx_force.F ./qs_linres_nmr_shift.F ./hfx_ri_kp.F ./gw_large_cell_gamma.F ./input_cp2k_ls.F ./qs_ot_eigensolver.F ./qs_band_structure.F ./force_env_types.F ./qs_ks_qmmm_methods.F ./lri_forces.F ./semi_empirical_expns3_types.F ./rpa_gw_im_time_util.F ./distribution_2d_types.F ./qs_ot_types.F ./cp_dbcsr_cholesky.F ./task_list_types.F ./input_cp2k_print_dft.F ./input_cp2k_global.F ./lri_environment_init.F ./distribution_methods.F ./eip_environment_types.F ./qs_gapw_densities.F ./spglib_f08.F ./hfx_helpers.F ./cp_symmetry.F ./qs_charges_types.F ./input_cp2k_voronoi.F ./qs_interactions.F ./qs_scf_post_se.F ./qmmmx_util.F ./generic_os_integrals.F ./commutator_rpnl.F ./semi_empirical_parameters.F ./input_cp2k_scf.F ./mao_types.F ./header.F ./pwdft_environment_types.F ./hfx_pw_methods.F ./qs_ot_minimizer.F ./linesearch.F ./qs_kernel_types.F ./xc_pot_saop.F ./et_coupling.F ./xas_methods.F ./arnoldi/arnoldi_geev.F ./arnoldi/arnoldi_types.F ./arnoldi/arnoldi_methods.F ./arnoldi/arnoldi_data_methods.F ./arnoldi/arnoldi_api.F ./mixed_cdft_types.F ./fist_efield_methods.F ./pao_optimizer.F ./qs_harris_utils.F ./qs_tddfpt2_assign.F ./hfx_communication.F ./input_constants.F ./metadyn_tools/graph.F ./metadyn_tools/graph_methods.F ./metadyn_tools/graph_utils.F ./qs_tddfpt2_fprint.F ./qs_density_mixing_types.F ./qs_fb_com_tasks_types.F ./rpa_rse.F ./qs_scf_types.F ./ewalds_multipole.F ./iao_types.F ./wannier_states.F ./smeagol_interface.F ./common/parallel_rng_types.F ./common/timings_base_type.F ./common/cp_array_sort.F ./common/list_routinestat.F ./common/string_table.F ./common/timings_report.F ./common/memory_utilities.F ./common/cg_test.F ./common/cp_array_utils.F ./common/cp_result_types.F ./common/cp_result_methods.F ./common/t_sh_p_s_c.F ./common/d3_poly.F ./common/reference_manager.F ./common/parallel_rng_types_unittest.F ./common/structure_factors.F ./common/callgraph.F ./common/cp_error_handling.F ./common/list.F ./common/kahan_sum.F ./common/cp_files.F ./common/util.F ./common/gamma.F ./common/cp_log_handling.F ./common/fparser.F ./common/bessel_lib.F ./common/whittaker.F ./common/lebedev.F ./common/t_c_g0.F ./common/timings.F ./common/timings_types.F ./common/memory_utilities_unittest.F ./common/cp_units.F ./common/cp_min_heap.F ./common/cp_iter_types.F ./common/periodic_table.F ./common/splines.F ./common/list_routinereport.F ./common/structure_factor_types.F ./common/list_callstackentry.F ./common/lapack.F ./common/routine_map.F ./common/bibliography.F ./common/list_timerenv.F ./common/spherical_harmonics.F ./common/eigenvalueproblems.F ./common/distribution_1d_types.F ./common/mathconstants.F ./common/physcon.F ./common/mathlib.F ./common/print_messages.F ./common/string_utilities.F ./common/linear_systems.F ./common/powell.F ./semi_empirical_integrals.F ./input_cp2k_xc.F ./molecular_states.F ./qs_ks_utils.F ./input_cp2k_resp.F ./qs_elf_methods.F ./trexio_utils.F ./mp2_ri_gpw.F ./constraint_3x3.F ./qs_scf_initialization.F ./qs_resp.F ./qs_mo_types.F ./input_cp2k_almo.F ./qs_rho0_types.F ./mm_collocate_potential.F ./qs_fb_trial_fns_types.F ./molecular_dipoles.F ./qs_cdft_opt_types.F ./qs_core_energies.F ./qmmm_gaussian_types.F ./taper_types.F ./qs_kpp1_env_methods.F ./mixed_energy_types.F ./manybody_quip.F ./post_scf_bandstructure_types.F ./input_cp2k_smeagol.F ./qs_hash_table_functions.F ./kg_environment.F ./submatrix_dissection.F ./pao_param_linpot.F ./qmmm_create.F ./constraint_4x6.F ./dm_ls_scf_create.F ./atom.F ./external_potential_methods.F ./pair_potential_util.F ./optbas_fenv_manipulation.F ./dbm/dbm_tests.F ./dbm/dbm_api.F ./input_cp2k_se.F ./ls_matrix_exp.F ./qs_rho_types.F ./qs_force_types.F ./manybody_nequip.F ./input_optimize_input.F ./xas_control.F ./input_cp2k_atprop.F ./atom_sgp.F ./surface_dipole.F ./rpa_gw_ic.F ./iterate_matrix.F ./xas_tdp_kernel.F ./almo_scf_env_methods.F ./qmmm_pw_grid.F ./atomic_charges.F ./molden_utils.F ./negf_subgroup_types.F ./qs_tddfpt2_fhxc.F ./input_cp2k_opt.F ./kpoint_io.F ./pw/pw_methods.F ./pw/cp_linked_list_pw.F ./pw/ps_implicit_methods.F ./pw/dielectric_methods.F ./pw/dirichlet_bc_methods.F ./pw/pw_fpga.F ./pw/pw_types.F ./pw/lazy.F ./pw/pw_poisson_methods.F ./pw/ps_implicit_types.F ./pw/pw_pool_types.F ./pw/pw_copy_all.F ./pw/ps_wavelet_methods.F ./pw/ps_wavelet_base.F ./pw/ps_wavelet_types.F ./pw/fft/fft_plan.F ./pw/fft/mltfftsg_tools.F ./pw/fft/fftw3_lib.F ./pw/fft/fftsg_lib.F ./pw/fft/fft_kinds.F ./pw/fft/fft_lib.F ./pw/realspace_grid_types.F ./pw/ps_wavelet_scaling_function.F ./pw/ps_wavelet_fft3d.F ./pw/mt_util.F ./pw/ps_wavelet_kernel.F ./pw/dg_types.F ./pw/pw_spline_utils.F ./pw/pw_grid_types.F ./pw/ps_wavelet_util.F ./pw/dct.F ./pw/cube_utils.F ./pw/pw_gpu.F ./pw/rs_methods.F ./pw/dirichlet_bc_types.F ./pw/pw_grids.F ./pw/pw_poisson_types.F ./pw/dg_rho0_types.F ./pw/realspace_grid_cube.F ./pw/dielectric_types.F ./pw/fft_tools.F ./pw/pw_grid_info.F ./pw/dgs.F ./qs_neighbor_list_types.F ./input_cp2k_mp2.F ./qs_basis_gradient.F ./pair_potential_coulomb.F ./scf_control_types.F ./qs_active_space_methods.F ./bse_iterative.F ./response_solver.F ./fist_pol_scf.F ./atom_xc.F ./xtb_ks_matrix.F ./manybody_deepmd.F ./topology_coordinate_util.F ./input_cp2k_mm.F ./al_system_types.F ./maxwell_solver_interface.F ./qmmm_se_energy.F ./qs_basis_rotation_methods.F ./optimize_basis_types.F ./spme.F ./bsse.F ./qs_tddfpt2_subgroups.F ./ewald_pw_methods.F ./qs_tddfpt2_fhxc_forces.F ./rt_propagation_types.F ./qs_local_properties.F ./input_cp2k_distribution.F ./atom_set_basis.F ./bse_util.F ./ec_external.F ./qs_fxc.F ./qs_epr_hyp.F ./se_fock_matrix.F ./local_gemm_api.F ./qs_nonscf_utils.F ./qs_tddfpt2_utils.F ./qs_dftb_coulomb.F ./mp2_integrals.F ./qs_mo_occupation.F ./preconditioner.F ./lri_ks_methods.F ./manybody_gal21.F ./qs_local_rho_types.F ./qs_energy_types.F ./qs_nl_hash_table_types.F ./qs_tddfpt2_soc_utils.F ./rtp_admm_methods.F ./qmmm_types.F ./dm_ls_scf.F ./qs_2nd_kernel_ao.F ./excited_states.F ./qs_integrate_potential_product.F ./input_cp2k_negf.F ./metadynamics_utils.F ./fist_force.F ./mp2_ri_grad.F ./qs_dftb_matrices.F ./qs_mom_types.F ./smeagol_emtoptions.F ./se_fock_matrix_dbg.F ./nnp_environment.F ./xtb_types.F ./mp2_eri.F ./task_list_methods.F ./rpa_communication.F ./qs_fb_atomic_halo_types.F ./fist_efield_types.F ./emd/rt_propagation_methods.F ./emd/rt_bse_io.F ./emd/rt_delta_pulse.F ./emd/rt_propagation_utils.F ./emd/rt_make_propagators.F ./emd/rt_bse.F ./emd/rt_projection_mo_utils.F ./emd/rt_hfx_utils.F ./emd/rt_propagator_init.F ./emd/rt_bse_types.F ./emd/rt_propagation_output.F ./minimax/minimax_exp_k53.F ./minimax/minimax_exp.F ./minimax/minimax_exp_k15.F ./minimax/minimax_rpa.F ./minimax/minimax_exp_gw.F ./fist_neighbor_list_control.F ./libgrpp_integrals.F ./input_cp2k_force_eval.F ./force_fields.F ./pao_param_gth.F ./environment.F ./cp_eri_mme_interface.F ./pilaenv_hack.F ./semi_empirical_int3_utils.F ./qs_linres_types.F ./csvr_system_types.F ./admm_methods.F ./fist_energy_types.F ./atom_upf.F ./fp_types.F ./qmmm_se_forces.F ./splines_types.F ./mp2_eri_gpw.F ./qs_ks_types.F ./kpoint_types.F ./pao_io.F ./farming_types.F ./qs_dispersion_d2.F ./qmmm_gpw_forces.F ./cp_dbcsr_diag.F ./hfx_admm_utils.F ./s_square_methods.F ./qs_operators_ao.F ./qs_ot.F ./qs_cdft_methods.F ./qs_linres_epr_ownutils.F ./xtb_hab_force.F ./shg_integrals_test.F ./atom_optimization.F ./lri_environment_types.F ./qs_fermi_contact.F ./qs_integrate_potential.F ./libint_2c_3c.F ./qs_collocate_density.F ./qs_linres_polar_utils.F ./nnp_model.F ./rt_propagation_forces.F ./subsys/molecule_kind_types.F ./subsys/colvar_types.F ./subsys/particle_types.F ./subsys/shell_potential_types.F ./subsys/cp_subsys_types.F ./subsys/particle_list_types.F ./subsys/multipole_types.F ./subsys/atomic_kind_list_types.F ./subsys/atomic_kind_types.F ./subsys/damping_dipole_types.F ./subsys/atprop_types.F ./subsys/molecule_types.F ./subsys/external_potential_types.F ./subsys/force_field_kind_types.F ./subsys/virial_types.F ./subsys/molecule_list_types.F ./subsys/molecule_kind_list_types.F ./subsys/cell_types.F ./mao_wfn_analysis.F ./fist_environment.F ./qs_tddfpt2_eigensolver.F ./input_cp2k_qmmm.F ./qs_period_efield_types.F ./qs_fb_buffer_types.F ./qs_vcd_ao.F ./rpa_main.F ./library_tests.F ./dm_ls_scf_qs.F ./input_cp2k_external.F ./input_cp2k_restarts_util.F ./qs_wf_history_methods.F ./hfx_exx.F ./input_cp2k_loc.F ./bse_print.F ./preconditioner_apply.F ./negf_green_methods.F ./negf_matrix_utils.F ./domain_submatrix_methods.F ./deepmd_wrapper.F ./qs_rho_atom_methods.F ./ec_methods.F ./pw_poisson_read_input.F ./input_cp2k_transport.F ./pao_input.F ./qs_loc_methods.F ./swarm/swarm.F ./swarm/glbopt_input.F ./swarm/glbopt_history.F ./swarm/glbopt_master.F ./swarm/swarm_message.F ./swarm/swarm_master.F ./swarm/glbopt_worker.F ./swarm/glbopt_mincrawl.F ./swarm/glbopt_minhop.F ./swarm/swarm_input.F ./swarm/swarm_worker.F ./swarm/swarm_mpi.F ./tip_scan_methods.F ./qs_spin_orbit.F ./se_core_core.F ./ewald_methods_tb.F ./semi_empirical_store_int_types.F ./mp2_gpw.F ./eip_silicon.F ./hdf5_wrapper.F ./manybody_potential.F ./offload/offload_api.F ./qs_tddfpt2_soc.F ./core_ae.F ./replica_types.F ./qs_harmonics_atom.F ./qs_external_potential.F ./input_cp2k_binary_restarts.F ./mixed_environment_types.F ./input_cp2k_xas.F ./mscfg_methods.F ./rpa_sigma_functional.F ./qmmmx_types.F ./qs_loc_states.F ./xtb_hcore.F ./pme.F ./qs_gspace_mixing.F ./qs_tddfpt2_densities.F ./mol_force.F ./qs_energy.F ./kpsym.F ./qs_linres_atom_current.F ./qs_ks_atom.F ./qs_dispersion_d3.F ./qs_vxc_atom.F ./nnp_acsf.F ./preconditioner_solvers.F ./embed_environment.F ./bse_full_diag.F ./qs_tddfpt2_operators.F ./qs_tddfpt2_smearing_methods.F ./dm_ls_scf_methods.F ./xc/xc_xbecke88_long_range.F ./xc/xc_xbr_pbe_lda_hole_t_c_lr.F ./xc/xc_derivative_desc.F ./xc/xc_libxc_wrap.F ./xc/xc_functionals_utilities.F ./xc/xc_util.F ./xc/xc_xpbe_hole_t_c_lr.F ./xc/xc_tpss.F ./xc/xc_cs1.F ./xc/xc_lyp_adiabatic.F ./xc/xc_perdew_zunger.F ./xc/xc_xbeef.F ./xc/xc_xbecke88.F ./xc/xc_xwpbe.F ./xc/xc_b97_fxc.F ./xc/xc_tfw.F ./xc/xc_xlda_hole_t_c_lr.F ./xc/xc_pade.F ./xc/xc_ke_gga.F ./xc/xc_atom.F ./xc/xc_rho_set_types.F ./xc/xc_b97.F ./xc/xc_xalpha.F ./xc/xc_xbecke_roussel.F ./xc/xc_lyp.F ./xc/xc_perdew_wang.F ./xc/cp_linked_list_xc_deriv.F ./xc/xc_pbe.F ./xc/xc_optx.F ./xc/xc_derivative_types.F ./xc/xc_derivative_set_types.F ./xc/xc_exchange_gga.F ./xc/xc_libxc.F ./xc/xc.F ./xc/xc_rho_cflags_types.F ./xc/xc_vwn.F ./xc/xc_fxc_kernel.F ./xc/xc_perdew86.F ./xc/xc_xbecke88_lr_adiabatic.F ./xc/xc_thomas_fermi.F ./xc/xc_input_constants.F ./xc/xc_hcth.F ./xc/xc_derivatives.F ./sockets_interface.F ./qs_cdft_utils.F ./xas_restart.F ./qs_gcp_method.F ./particle_methods.F ./qs_rho_methods.F ./ewalds.F ./mp2_optimize_ri_basis.F ./fist_neighbor_lists.F ./force_fields_all.F ./qs_dos.F ./restraint.F ./torch_api.F ./input_cp2k_ec.F ./pw_env/cp_spline_utils.F ./pw_env/rs_pw_interface.F ./pw_env/pw_env_types.F ./pw_env/gaussian_gridlevels.F ./smeagol_matrix_utils.F ./input_cp2k_constraints.F ./negf_control_types.F ./qs_integral_utils.F ./bse_properties.F ./cp_realspace_grid_cube.F ./input_cp2k_free_energy.F ./qs_fb_env_methods.F ./mp2_setup.F ./xc_adiabatic_utils.F ./qs_linres_epr_utils.F ./cp_control_utils.F ./sockets.c ./base/openmp_trace.c ./base/machine_cpuid.c ./fm/cp_fm_cusolver.c ./start/libcp2k_unittest.c ./grid/cpu/grid_cpu_prepare_pab.c ./grid/cpu/grid_cpu_task_list.c ./grid/cpu/grid_cpu_integrate.c ./grid/cpu/grid_cpu_collocate.c ./grid/grid_replay.c ./grid/dgemm/grid_dgemm_utils.c ./grid/dgemm/grid_dgemm_collocation_integration.c ./grid/dgemm/grid_dgemm_prepare_pab.c ./grid/dgemm/grid_dgemm_non_orthorombic_corrections.c ./grid/dgemm/grid_dgemm_integrate.c ./grid/dgemm/grid_dgemm_tensor_local.c ./grid/dgemm/grid_dgemm_context.c ./grid/dgemm/grid_dgemm_collocate.c ./grid/dgemm/grid_dgemm_coefficients.c ./grid/ref/grid_ref_collocate.c ./grid/ref/grid_ref_integrate.c ./grid/ref/grid_ref_prepare_pab.c ./grid/ref/grid_ref_task_list.c ./grid/grid_unittest.c ./grid/grid_miniapp.c ./grid/common/grid_sphere_cache.c ./grid/common/grid_library.c ./grid/common/grid_basis_set.c ./grid/grid_task_list.c ./dbm/dbm_matrix.c ./dbm/dbm_mpi.c ./dbm/dbm_multiply_gpu.c ./dbm/dbm_multiply_cpu.c ./dbm/dbm_miniapp.c ./dbm/dbm_distribution.c ./dbm/dbm_multiply.c ./dbm/dbm_shard.c ./dbm/dbm_library.c ./dbm/dbm_mempool.c ./dbm/dbm_multiply_comm.c ./dbm/dbm_multiply_opencl.c ./pw/gpu/pw_gpu_internal.c ./pw/fpga/opencl_utils.c ./pw/fpga/fft_fpga.c ./offload/offload_buffer.c ./offload/offload_library.c /build/reproducible-path/cp2k-2025.1/src/torch_c_api.cpp +/build/reproducible-path/cp2k-2025.1/tools/build_utils/makedep.py /build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep cp2k "lower" "normal" .a /build/reproducible-path/cp2k-2025.1/src ./qs_linres_issc_utils.F ./qs_cdft_scf_utils.F ./rpa_gw_im_time_util.F ./semi_empirical_mpole_methods.F ./pao_methods.F ./input_cp2k_read.F ./input_cp2k_scf.F ./force_fields_ext.F ./qs_scf_post_tb.F ./mixed_environment_types.F ./eip_silicon.F ./pao_param_fock.F ./qs_diis.F ./iao_analysis.F ./qs_active_space_types.F ./qs_local_properties.F ./eeq_method.F ./xas_tdp_atom.F ./optbas_opt_utils.F ./gw_communication.F ./qs_dftb_utils.F ./qs_ot_scf.F ./kg_vertex_coloring_methods.F ./dbm/dbm_api.F ./dbm/dbm_tests.F ./minbas_methods.F ./cp2k_info.F ./qs_active_space_methods.F ./voronoi_interface.F ./cp_eri_mme_interface.F ./qs_block_davidson_types.F ./qs_subsys_types.F ./mode_selective.F ./qs_tddfpt2_soc.F ./cp_ddapc_forces.F ./xtb_matrices.F ./torch_api.F ./qs_fb_distribution_methods.F ./hirshfeld_methods.F ./negf_green_cache.F ./fp_types.F ./qs_vcd_utils.F ./qmmm_links_methods.F ./response_solver.F ./rpa_im_time_force_types.F ./mm_mapping_library.F ./qs_efield_local.F ./qs_charge_mixing.F ./negf_vectors.F ./admm_dm_methods.F ./xc_pot_saop.F ./input_cp2k_poisson.F ./qs_collocate_density.F ./qs_band_structure.F ./gle_system_types.F ./qs_fb_env_methods.F ./ewalds.F ./input_cp2k_almo.F ./qs_scf_loop_utils.F ./libint_2c_3c.F ./fist_neighbor_list_control.F ./ec_env_types.F ./auto_basis.F ./ri_environment_methods.F ./iao_types.F ./farming_types.F ./post_scf_bandstructure_utils.F ./qmmm_tb_methods.F ./topology_cp2k.F ./nnp_environment.F ./hfx_derivatives.F ./bse_properties.F ./metadynamics_utils.F ./efield_tb_methods.F ./input_cp2k_exstate.F ./atom_kind_orbitals.F ./tip_scan_methods.F ./qs_fxc.F ./mm_collocate_potential.F ./input_cp2k_transport.F ./qs_linres_types.F ./hfx_libint_interface.F ./hfx_pair_list_methods.F ./pao_potentials.F ./semi_empirical_expns3_types.F ./pexsi_methods.F ./atom_pseudo.F ./input_cp2k_resp.F ./topology_input.F ./qs_elec_field.F ./pao_ml_gaussprocess.F ./qmmm_types.F ./atom.F ./pme.F ./mixed_energy_types.F ./input_cp2k_ls.F ./optbas_fenv_manipulation.F ./transport_env_types.F ./nnp_force.F ./al_system_types.F ./xtb_hcore.F ./qs_nonscf_utils.F ./xtb_coulomb.F ./topology_generate_util.F ./qmmm_se_energy.F ./qs_energy_init.F ./input_cp2k_embed.F ./qs_tddfpt2_fhxc.F ./input_cp2k_colvar.F ./qs_loc_main.F ./fist_efield_methods.F ./uff_vdw_radii_table.F ./constraint.F ./qs_density_matrices.F ./pao_linpot_rotinv.F ./qs_moments.F ./bse_print.F ./qs_kpp1_env_types.F ./qs_hash_table_functions.F ./xas_tdp_kernel.F ./xas_tdp_types.F ./input_cp2k_thermostats.F ./lri_environment_init.F ./eeq_input.F ./wannier90.F ./gapw_1c_basis_set.F ./qs_environment_types.F ./qmmmx_create.F ./libint_wrapper.F ./force_env_methods.F ./hfx_energy_potential.F ./qs_localization_methods.F ./smeagol_matrix_utils.F ./qs_environment_methods.F ./mixed_cdft_utils.F ./base/kinds.F ./base/base_hooks.F ./base/machine.F ./hfx_types.F ./rpa_grad.F ./input_cp2k_mp2.F ./mixed_environment_utils.F ./semi_empirical_store_int_types.F ./qs_dcdr_ao.F ./transport.F ./qs_dispersion_pairpot.F ./ec_methods.F ./qs_fb_atomic_matrix_methods.F ./qs_tddfpt2_properties.F ./atom_xc.F ./qs_dispersion_utils.F ./outer_scf_control_types.F ./ec_orth_solver.F ./topology_util.F ./bsse.F ./xc_adiabatic_methods.F ./input_cp2k_external.F ./almo_scf_types.F ./maxwell_solver_interface.F ./block_p_types.F ./input_cp2k_constraints.F ./qs_scf_post_gpw.F ./hfx_admm_utils.F ./cp_dbcsr_cp2k_link.F ./qs_oce_types.F ./rpa_exchange.F ./rt_propagation_types.F ./qs_tddfpt2_lri_utils.F ./pwdft_environment_types.F ./qs_wf_history_types.F ./mp2_ri_grad.F ./qs_tddfpt2_soc_types.F ./qs_tddfpt2_soc_utils.F ./qs_condnum.F ./qs_ot_eigensolver.F ./pao_model.F ./qs_dispersion_types.F ./matrix_exp.F ./mp2_grids.F ./se_fock_matrix_exchange.F ./grid/grid_api.F ./soc_pseudopotential_methods.F ./splines_types.F ./cp_external_control.F ./input_cp2k_loc.F ./colvar_utils.F ./qs_tddfpt2_restart.F ./kpsym.F ./qs_linres_nmr_utils.F ./constraint_clv.F ./qs_epr_hyp.F ./dm_ls_scf_qs.F ./scf_control_types.F ./force_fields_all.F ./qs_sccs.F ./xtb_potentials.F ./mp2_types.F ./cp_ddapc_methods.F ./qs_core_energies.F ./semi_empirical_expns3_methods.F ./topology_xtl.F ./bse_main.F ./qs_cdft_methods.F ./ec_efield_local.F ./qs_commutators.F ./qs_vxc.F ./aobasis/soft_basis_set.F ./aobasis/ai_overlap3_debug.F ./aobasis/orbital_symbols.F ./aobasis/orbital_transformation_matrices.F ./aobasis/ai_operator_ra2m.F ./aobasis/ai_operators_r12.F ./aobasis/ai_eri_debug.F ./aobasis/ai_angmom.F ./aobasis/ai_overlap_debug.F ./aobasis/ai_oneelectron.F ./aobasis/basis_set_types.F ./aobasis/ai_spin_orbit.F ./aobasis/basis_set_container_types.F ./aobasis/ai_moments.F ./aobasis/ai_os_rr.F ./aobasis/paw_basis_types.F ./aobasis/ai_derivatives.F ./aobasis/ai_elec_field.F ./aobasis/orbital_pointers.F ./aobasis/aux_basis_set.F ./aobasis/ai_coulomb.F ./aobasis/ai_contraction.F ./aobasis/ai_overlap_aabb.F ./aobasis/ai_verfc.F ./aobasis/ai_overlap.F ./aobasis/ao_util.F ./aobasis/ai_kinetic.F ./aobasis/ai_coulomb_test.F ./aobasis/sto_ng.F ./aobasis/ai_fermi_contact.F ./aobasis/ai_overlap_ppl.F ./aobasis/ai_overlap3.F ./aobasis/ai_onecenter.F ./aobasis/ai_contraction_sphi.F ./input_cp2k_mm.F ./qs_diis_types.F ./rmsd.F ./input_cp2k_ec.F ./lri_forces.F ./embed_main.F ./qs_kinetic.F ./topology_types.F ./rpa_main.F ./qs_ks_reference.F ./semi_empirical_int_gks.F ./pao_ml_descriptor.F ./qs_tddfpt2_stda_utils.F ./pao_input.F ./iterate_matrix.F ./qs_linres_op.F ./virial_methods.F ./subsys/damping_dipole_types.F ./subsys/multipole_types.F ./subsys/particle_types.F ./subsys/molecule_types.F ./subsys/atomic_kind_list_types.F ./subsys/shell_potential_types.F ./subsys/external_potential_types.F ./subsys/molecule_kind_list_types.F ./subsys/virial_types.F ./subsys/atomic_kind_types.F ./subsys/cell_types.F ./subsys/atprop_types.F ./subsys/molecule_list_types.F ./subsys/cp_subsys_types.F ./subsys/molecule_kind_types.F ./subsys/colvar_types.F ./subsys/particle_list_types.F ./subsys/force_field_kind_types.F ./input_cp2k_xas.F ./pexsi_types.F ./qs_mo_types.F ./hirshfeld_types.F ./smeagol_emtoptions.F ./dbcsrx/dbcsr_vector.F ./qs_tddfpt_module.F ./emd/rt_propagation_output.F ./emd/rt_delta_pulse.F ./emd/rt_bse_io.F ./emd/rt_projection_mo_utils.F ./emd/rt_hfx_utils.F ./emd/rt_propagation_methods.F ./emd/rt_bse_types.F ./emd/rt_propagator_init.F ./emd/rt_propagation_utils.F ./emd/rt_make_propagators.F ./emd/rt_bse.F ./farming_methods.F ./negf_alloc_types.F ./xtb_eeq.F ./fist_force.F ./minimax/minimax_exp_gw.F ./minimax/minimax_exp_k15.F ./minimax/minimax_rpa.F ./minimax/minimax_exp_k53.F ./minimax/minimax_exp.F ./trexio.F ./force_fields.F ./hfx_ri_kp.F ./xtb_ehess_force.F ./fist_main.F ./fist_environment_types.F ./xray_diffraction.F ./shg_int/s_contract_shg.F ./shg_int/generic_shg_integrals_init.F ./shg_int/construct_shg.F ./shg_int/constants_operator.F ./shg_int/generic_shg_integrals.F ./pao_linpot_full.F ./qcschema.F ./mp2_eri_gpw.F ./xc/xc_fxc_kernel.F ./xc/xc_derivative_desc.F ./xc/xc_input_constants.F ./xc/xc_pbe.F ./xc/xc_derivative_set_types.F ./xc/xc_cs1.F ./xc/xc_rho_set_types.F ./xc/xc_exchange_gga.F ./xc/xc_xpbe_hole_t_c_lr.F ./xc/xc_lyp_adiabatic.F ./xc/xc_xwpbe.F ./xc/xc_perdew_zunger.F ./xc/xc_b97_fxc.F ./xc/xc_atom.F ./xc/xc_derivative_types.F ./xc/xc_xalpha.F ./xc/xc_derivatives.F ./xc/xc_vwn.F ./xc/xc_tfw.F ./xc/xc_hcth.F ./xc/xc_xbecke88_long_range.F ./xc/xc_tpss.F ./xc/xc.F ./xc/xc_perdew86.F ./xc/xc_libxc.F ./xc/xc_perdew_wang.F ./xc/xc_libxc_wrap.F ./xc/xc_xlda_hole_t_c_lr.F ./xc/xc_xbecke88_lr_adiabatic.F ./xc/xc_b97.F ./xc/xc_pade.F ./xc/xc_functionals_utilities.F ./xc/xc_rho_cflags_types.F ./xc/xc_lyp.F ./xc/xc_xbeef.F ./xc/xc_thomas_fermi.F ./xc/xc_ke_gga.F ./xc/xc_xbecke88.F ./xc/xc_xbecke_roussel.F ./xc/xc_util.F ./xc/cp_linked_list_xc_deriv.F ./xc/xc_xbr_pbe_lda_hole_t_c_lr.F ./xc/xc_optx.F ./hfx_ri.F ./almo_scf.F ./gw_utils.F ./qs_gapw_densities.F ./pair_potential_util.F ./mp2_ri_2c.F ./qs_spin_orbit.F ./rpa_im_time_force_methods.F ./taper_types.F ./post_scf_bandstructure_methods.F ./dm_ls_scf_curvy.F ./qs_ot_minimizer.F ./cp_ddapc_types.F ./hfx_compression_methods.F ./qs_scf_wfn_mix.F ./sockets_interface.F ./bse_iterative.F ./fermi_utils.F ./qs_nonscf.F ./topology_multiple_unit_cell.F ./mscfg_methods.F ./global_types.F ./input_cp2k_dft.F ./qs_matrix_w.F ./qs_energy.F ./qmmm_init.F ./preconditioner_solvers.F ./preconditioner_makes.F ./mp2_laplace.F ./hdf5_wrapper.F ./commutator_rkinetic.F ./qs_rho_atom_methods.F ./qs_dftb_matrices.F ./qs_scf_types.F ./qs_tddfpt2_fhxc_forces.F ./mp2.F ./qs_tddfpt2_utils.F ./qs_linres_nmr_shift.F ./pexsi_interface.F ./qs_tddfpt_eigensolver.F ./semi_empirical_int_ana.F ./qs_nl_hash_table_types.F ./mp2_cphf.F ./spme.F ./qs_ks_qmmm_types.F ./eip_environment_types.F ./input_cp2k_global.F ./pao_ml.F ./qmmm_gaussian_init.F ./xas_restart.F ./qs_pdos.F ./molecular_moments.F ./semi_empirical_integrals.F ./subcell_types.F ./constraint_fxd.F ./topology_gromos.F ./qs_vcd_ao.F ./mp2_gpw.F ./force_env_utils.F ./input_cp2k_print_dft.F ./qs_tddfpt2_eigensolver.F ./qs_harris_utils.F ./qs_mixing_utils.F ./ipi_driver.F ./qs_linres_atom_current.F ./fist_energy_types.F ./atom_output.F ./kpoint_coulomb_2c.F ./atom_operators.F ./se_fock_matrix_coulomb.F ./qs_harris_types.F ./xc_adiabatic_utils.F ./metadynamics.F ./cp_realspace_grid_init.F ./optimize_basis_types.F ./simpar_types.F ./almo_scf_qs.F ./external_potential_methods.F ./input_cp2k_free_energy.F ./input_cp2k_tb.F ./input_cp2k_rsgrid.F ./topology_pdb.F ./negf_env_types.F ./pair_potential.F ./qs_linres_module.F ./force_fields_input.F ./qs_dispersion_nonloc.F ./exstates_types.F ./force_env_types.F ./input_cp2k_force_eval.F ./lri_environment_types.F ./qs_linres_current.F ./qs_dos.F ./qs_neighbor_list_types.F ./admm_types.F ./semi_empirical_int_utils.F ./input_cp2k_restarts_util.F ./rpa_communication.F ./s_square_methods.F ./semi_empirical_par_utils.F ./exclusion_types.F ./topology_coordinate_util.F ./qmmm_gpw_energy.F ./lri_optimize_ri_basis_types.F ./core_ae.F ./input_cp2k_qmmm.F ./lri_compression.F ./rel_control_types.F ./min_basis_set.F ./semi_empirical_int_arrays.F ./qs_ot.F ./swarm/glbopt_input.F ./swarm/swarm_master.F ./swarm/glbopt_minhop.F ./swarm/swarm_worker.F ./swarm/swarm_mpi.F ./swarm/swarm_input.F ./swarm/glbopt_history.F ./swarm/glbopt_worker.F ./swarm/swarm_message.F ./swarm/swarm.F ./swarm/glbopt_master.F ./swarm/glbopt_mincrawl.F ./almo_scf_diis_types.F ./preconditioner.F ./negf_integr_utils.F ./dgemm_counter_types.F ./input_cp2k_eip.F ./lri_integrals.F ./qs_gcp_types.F ./qs_gspace_mixing.F ./metadyn_tools/graph.F ./metadyn_tools/graph_methods.F ./metadyn_tools/graph_utils.F ./qs_local_rho_types.F ./qmmm_tb_coulomb.F ./qs_mo_occupation.F ./dm_ls_scf_methods.F ./replica_types.F ./qs_tddfpt2_smearing_methods.F ./cp_dbcsr_diag.F ./ex_property_calculation.F ./rtp_admm_methods.F ./manybody_deepmd.F ./semi_empirical_types.F ./qs_tddfpt2_methods.F ./input_cp2k_field.F ./manybody_nequip.F ./qs_chargemol.F ./ed_analysis.F ./ewald_spline_util.F ./atom_set_basis.F ./qs_dcdr_utils.F ./qs_ks_atom.F ./qs_fb_input.F ./qs_loc_utils.F ./qs_eht_guess.F ./xc_write_output.F ./input_cp2k_voronoi.F ./embed_environment.F ./parallel_gemm_api.F ./negf_control_types.F ./manybody_gal.F ./group_dist_types.F ./hfxbase/hfx_contraction_methods.F ./hfxbase/hfx_compression_core_methods.F ./hfxbase/hfx_contract_block.F ./qs_kpp1_env_methods.F ./pao_param_linpot.F ./qs_charges_types.F ./qs_ks_apply_restraints.F ./qs_grid_atom.F ./qs_cdft_utils.F ./motion/vibrational_analysis.F ./motion/helium_common.F ./motion/pint_staging.F ./motion/thermal_region_utils.F ./motion/cp_lbfgs.F ./motion/helium_types.F ./motion/pint_types.F ./motion/dimer_methods.F ./motion/averages_types.F ./motion/cp_lbfgs_optimizer_gopt.F ./motion/velocity_verlet_control.F ./motion/simpar_methods.F ./motion/geo_opt.F ./motion/free_energy_methods.F ./motion/neb_utils.F ./motion/md_util.F ./motion/neb_types.F ./motion/helium_worm.F ./motion/dumpdcd.F ./motion/cell_opt_types.F ./motion/gopt_f_types.F ./motion/pint_qtb.F ./motion/md_environment_types.F ./motion/pint_public.F ./motion/helium_io.F ./motion/rt_propagation.F ./motion/mc/mc_moves.F ./motion/mc/mc_ge_moves.F ./motion/mc/mc_run.F ./motion/mc/tamc_run.F ./motion/mc/mc_move_control.F ./motion/mc/mc_coordinates.F ./motion/mc/mc_ensembles.F ./motion/mc/mc_control.F ./motion/mc/mc_environment_types.F ./motion/mc/mc_types.F ./motion/mc/mc_misc.F ./motion/pint_transformations.F ./motion/space_groups_types.F ./motion/xyz2dcd.F ./motion/wiener_process.F ./motion/shell_opt.F ./motion/reftraj_types.F ./motion/md_ener_types.F ./motion/pint_pile.F ./motion/pint_gle.F ./motion/pint_normalmode.F ./motion/cell_opt.F ./motion/input_cp2k_vib.F ./motion/integrator_utils.F ./motion/bfgs_optimizer.F ./motion/reftraj_util.F ./motion/helium_nnp.F ./motion/helium_sampling.F ./motion/gopt_param_types.F ./motion/neb_methods.F ./motion/glbopt_callback.F ./motion/neb_opt_utils.F ./motion/integrator.F ./motion/gopt_f77_methods.F ./motion/pint_io.F ./motion/thermal_region_types.F ./motion/md_run.F ./motion/dimer_types.F ./motion/cp_lbfgs_geo.F ./motion/pint_piglet.F ./motion/md_vel_utils.F ./motion/helium_methods.F ./motion/neb_io.F ./motion/helium_interactions.F ./motion/dimer_utils.F ./motion/mdctrl_methods.F ./motion/input_cp2k_md.F ./motion/input_cp2k_restarts.F ./motion/space_groups.F ./motion/cg_optimizer.F ./motion/pint_methods.F ./motion/cell_opt_utils.F ./motion/neb_md_utils.F ./motion/thermostat/csvr_system_init.F ./motion/thermostat/thermostat_mapping.F ./motion/thermostat/gle_system_dynamics.F ./motion/thermostat/csvr_system_dynamics.F ./motion/thermostat/al_system_dynamics.F ./motion/thermostat/csvr_system_mapping.F ./motion/thermostat/thermostat_methods.F ./motion/thermostat/al_system_init.F ./motion/thermostat/extended_system_init.F ./motion/thermostat/al_system_mapping.F ./motion/thermostat/barostat_types.F ./motion/thermostat/input_cp2k_barostats.F ./motion/thermostat/extended_system_dynamics.F ./motion/thermostat/extended_system_mapping.F ./motion/thermostat/barostat_utils.F ./motion/thermostat/thermostat_types.F ./motion/thermostat/thermostat_utils.F ./motion/cg_utils.F ./motion/md_energies.F ./motion/md_conserved_quantities.F ./motion/gopt_f_methods.F ./qmmm_force.F ./qs_energy_utils.F ./gw_large_cell_gamma.F ./distribution_methods.F ./input_cp2k_qs.F ./qs_initial_guess.F ./molden_utils.F ./atom_utils.F ./trexio_utils.F ./qs_dispersion_d3.F ./negf_atom_map.F ./qmmmx_update.F ./stm_images.F ./eip_environment.F ./eri_mme/eri_mme_error_control.F ./eri_mme/eri_mme_types.F ./eri_mme/eri_mme_gaussian.F ./eri_mme/eri_mme_util.F ./eri_mme/eri_mme_test.F ./eri_mme/eri_mme_lattice_summation.F ./eri_mme/eri_mme_integrate.F ./optimize_embedding_potential.F ./manybody_gal21.F ./qs_scf_csr_write.F ./optimize_input.F ./negf_integr_simpson.F ./qs_linres_epr_nablavks.F ./input/input_section_types.F ./input/cp_parser_inpp_methods.F ./input/input_enumeration_types.F ./input/cp_parser_methods.F ./input/cp_parser_buffer_types.F ./input/cp_parser_types.F ./input/input_keyword_types.F ./input/cp_parser_ilist_methods.F ./input/cp_linked_list_input.F ./input/cp_parser_status_types.F ./input/cp_parser_ilist_types.F ./input/input_parsing.F ./input/input_val_types.F ./input/cp_output_handling.F ./input/cp_parser_inpp_types.F ./qs_scf_initialization.F ./header.F ./ct_types.F ./dbt/dbt_index.F ./dbt/dbt_split.F ./dbt/dbt_io.F ./dbt/dbt_test.F ./dbt/dbt_reshape_ops.F ./dbt/dbt_unittest.F ./dbt/dbt_methods.F ./dbt/dbt_block.F ./dbt/dbt_array_list_methods.F ./dbt/dbt_allocate_wrap.F ./dbt/dbt_api.F ./dbt/tas/dbt_tas_util.F ./dbt/tas/dbt_tas_mm.F ./dbt/tas/dbt_tas_io.F ./dbt/tas/dbt_tas_base.F ./dbt/tas/dbt_tas_split.F ./dbt/tas/dbt_tas_reshape_ops.F ./dbt/tas/dbt_tas_unittest.F ./dbt/tas/dbt_tas_global.F ./dbt/tas/dbt_tas_test.F ./dbt/tas/dbt_tas_types.F ./dbt/dbt_types.F ./mp2_eri.F ./cp_dbcsr_operations.F ./kpoint_methods.F ./pao_param.F ./semi_empirical_mpole_types.F ./qs_mo_io.F ./negf_matrix_utils.F ./task_list_methods.F ./qs_kernel_methods.F ./soc_pseudopotential_utils.F ./qs_dftb_dispersion.F ./wannier_states.F ./colvar_methods.F ./qs_kernel_types.F ./nnp_model.F ./et_coupling.F ./common/callgraph.F ./common/fparser.F ./common/cp_array_utils.F ./common/bessel_lib.F ./common/cp_iter_types.F ./common/util.F ./common/gamma.F ./common/structure_factor_types.F ./common/list_callstackentry.F ./common/distribution_1d_types.F ./common/parallel_rng_types.F ./common/cg_test.F ./common/t_sh_p_s_c.F ./common/lebedev.F ./common/cp_log_handling.F ./common/string_table.F ./common/list_routinestat.F ./common/linear_systems.F ./common/mathconstants.F ./common/periodic_table.F ./common/whittaker.F ./common/powell.F ./common/structure_factors.F ./common/reference_manager.F ./common/timings_report.F ./common/parallel_rng_types_unittest.F ./common/cp_array_sort.F ./common/routine_map.F ./common/splines.F ./common/eigenvalueproblems.F ./common/list.F ./common/memory_utilities.F ./common/cp_result_methods.F ./common/lapack.F ./common/kahan_sum.F ./common/string_utilities.F ./common/spherical_harmonics.F ./common/timings.F ./common/list_timerenv.F ./common/memory_utilities_unittest.F ./common/cp_error_handling.F ./common/cp_files.F ./common/bibliography.F ./common/t_c_g0.F ./common/timings_base_type.F ./common/cp_result_types.F ./common/physcon.F ./common/cp_min_heap.F ./common/d3_poly.F ./common/timings_types.F ./common/print_messages.F ./common/cp_units.F ./common/list_routinereport.F ./common/mathlib.F ./manybody_allegro.F ./mao_methods.F ./core_ppl.F ./qs_rho0_ggrid.F ./gw_integrals.F ./negf_methods.F ./qs_outer_scf.F ./qs_mom_methods.F ./qs_scf_output.F ./qs_linres_epr_utils.F ./atomic_charges.F ./semi_empirical_parameters.F ./embed_types.F ./qmmm_gaussian_data.F ./excited_states.F ./gw_kp_to_real_space_and_back.F ./cp_subsys_methods.F ./qmmm_pw_grid.F ./qs_external_potential.F ./admm_dm_types.F ./gw_main.F ./qs_rho0_types.F ./constraint_vsite.F ./scine_utils.F ./xas_env_types.F ./dm_ls_scf_types.F ./local_gemm_api.F ./qs_p_env_methods.F ./qs_rho_types.F ./admm_methods.F ./se_fock_matrix.F ./ec_environment.F ./qs_integral_utils.F ./qs_tddfpt_utils.F ./commutator_rpnl.F ./xas_methods.F ./qs_loc_states.F ./arnoldi/arnoldi_types.F ./arnoldi/arnoldi_api.F ./arnoldi/arnoldi_geev.F ./arnoldi/arnoldi_methods.F ./arnoldi/arnoldi_data_methods.F ./efield_utils.F ./input_restart_force_eval.F ./input_cp2k_neb.F ./qs_vcd.F ./qs_linres_nmr_epr_common_utils.F ./molecular_states.F ./extended_system_types.F ./qmmm_elpot.F ./input_cp2k_subsys.F ./input_cp2k_se.F ./qs_loc_types.F ./atom_admm_methods.F ./qs_dftb_coulomb.F ./preconditioner_types.F ./domain_submatrix_types.F ./qs_scf.F ./qs_resp.F ./qs_basis_rotation_methods.F ./preconditioner_apply.F ./se_core_matrix.F ./qs_gcp_method.F ./qs_cdft_opt_types.F ./xtb_ehess.F ./rt_propagation_velocity_gauge.F ./input_cp2k_nnp.F ./qs_elf_methods.F ./optimize_basis_utils.F ./qs_integrate_potential.F ./atom_energy.F ./fist_intra_force.F ./qs_density_mixing_types.F ./eeq_data.F ./semi_empirical_int_debug.F ./offload/offload_api.F ./input_cp2k_binary_restarts.F ./qs_environment.F ./input_restart_rng.F ./restraint.F ./qs_cdft_types.F ./kpoint_types.F ./domain_submatrix_methods.F ./manybody_siepmann.F ./qs_overlap.F ./qmmm_gaussian_types.F ./ewalds_multipole.F ./dm_ls_scf.F ./xtb_parameters.F ./xtb_types.F ./qmmm_util.F ./mscfg_types.F ./input_cp2k_as.F ./input_cp2k_xc.F ./qs_vxc_atom.F ./qmmm_per_elpot.F ./negf_green_methods.F ./et_coupling_types.F ./rpa_util.F ./qs_linres_methods.F ./mp2_integrals.F ./pao_param_exp.F ./qs_subsys_methods.F ./smeagol_control_types.F ./qs_tddfpt2_stda_types.F ./pao_io.F ./sap_kind_types.F ./mao_types.F ./qs_loc_methods.F ./cp_dbcsr_output.F ./fist_environment.F ./qs_linres_epr_ownutils.F ./qs_linres_current_utils.F ./mp2_ri_grad_util.F ./atom_fit.F ./hartree_local_methods.F ./pao_types.F ./rpa_gw_kpoints_util.F ./manybody_eam.F ./cp_dbcsr_cholesky.F ./input_cp2k_mixed.F ./qs_linres_polar_utils.F ./qs_force.F ./qs_dftb_parameters.F ./qs_external_density.F ./cryssym.F ./qmmmx_force.F ./input_optimize_basis.F ./kg_tnadd_mat.F ./atom_optimization.F ./qmmmx_types.F ./atom_sgp.F ./cell_methods.F ./molsym.F ./constraint_util.F ./task_list_types.F ./input_cp2k_hfx.F ./ct_methods.F ./input_cp2k_negf.F ./kpoint_io.F ./qs_scf_post_scf.F ./pw_env/gaussian_gridlevels.F ./pw_env/rs_pw_interface.F ./pw_env/pw_env_types.F ./pw_env/cp_spline_utils.F ./qs_energy_window.F ./qs_fb_filter_matrix_methods.F ./bse_util.F ./manybody_potential.F ./qs_scf_block_davidson.F ./library_tests.F ./atom_types.F ./splines_methods.F ./topology_cif.F ./qs_active_space_utils.F ./qs_ks_types.F ./qmmm_topology_util.F ./mdctrl_types.F ./qs_loc_molecules.F ./linesearch.F ./ls_matrix_exp.F ./qs_ks_qmmm_methods.F ./topology_psf.F ./topology.F ./qmmm_gpw_forces.F ./pw_poisson_read_input.F ./qs_gamma2kp.F ./distribution_2d_types.F ./mulliken.F ./se_fock_matrix_integrals.F ./rt_propagation_forces.F ./qs_o3c_types.F ./input_cp2k_motion_print.F ./qs_tddfpt2_types.F ./bse_full_diag.F ./metadynamics_types.F ./rpa_rse.F ./csvr_system_utils.F ./spglib_f08.F ./pao_param_equi.F ./qs_matrix_pools.F ./qs_p_env_types.F ./pilaenv_hack.F ./qmmm_ff_fist.F ./atom_upf.F ./input_cp2k_distribution.F ./beta_gamma_psi.F ./population_analyses.F ./csvr_system_types.F ./hartree_local_types.F ./cp_ddapc_util.F ./input_cp2k_smeagol.F ./qmmm_gaussian_input.F ./qs_tddfpt2_subgroups.F ./fp_methods.F ./qs_ks_utils.F ./qs_wannier90.F ./ewald_methods_tb.F ./qs_fb_com_tasks_types.F ./qs_force_types.F ./basis_set_output.F ./qs_fb_atomic_halo_types.F ./cp_control_types.F ./integration_grid_types.F ./nnp_environment_types.F ./negf_subgroup_types.F ./mixed_main.F ./tmc/tmc_file_io.F ./tmc/tmc_master.F ./tmc/tmc_stati.F ./tmc/tmc_dot_tree.F ./tmc/tmc_move_types.F ./tmc/input_cp2k_tmc.F ./tmc/tmc_utils.F ./tmc/tmc_worker.F ./tmc/tmc_tree_acceptance.F ./tmc/tmc_analysis_types.F ./tmc/tmc_tree_types.F ./tmc/tmc_tree_references.F ./tmc/tmc_setup.F ./tmc/tmc_types.F ./tmc/tmc_cancelation.F ./tmc/tmc_analysis.F ./tmc/tmc_calculations.F ./tmc/tmc_tree_build.F ./tmc/tmc_moves.F ./tmc/tmc_messages.F ./tmc/tmc_move_handle.F ./tmc/tmc_tree_search.F ./qs_dcdr.F ./generic_os_integrals.F ./ipi_server.F ./et_coupling_proj.F ./qs_rho_atom_types.F ./submatrix_types.F ./input_cp2k_projection_rtp.F ./submatrix_dissection.F ./xas_tp_scf.F ./cp_realspace_grid_cube.F ./qs_tddfpt2_operators.F ./qs_integrate_potential_product.F ./mixed_cdft_types.F ./qmmm_types_low.F ./qs_electric_field_gradient.F ./qs_atomic_block.F ./dft_plus_u.F ./replica_methods.F ./ewald_pw_methods.F ./mp2_ri_gpw.F ./hfx_pw_methods.F ./qmmm_image_charge.F ./tip_scan_types.F ./xas_tdp_integrals.F ./qs_scf_diagonalization.F ./topology_connectivity_util.F ./kpoint_transitional.F ./constraint_3x3.F ./hfx_helpers.F ./qs_mo_methods.F ./particle_methods.F ./rpa_gw_sigma_x.F ./free_energy_types.F ./qs_2nd_kernel_ao.F ./moments_utils.F ./qs_mfp.F ./xtb_hab_force.F ./lri_environment_methods.F ./qs_fb_env_types.F ./pao_param_methods.F ./nnp_acsf.F ./f77_interface.F ./rpa_gw.F ./debug_os_integrals.F ./qmmm_create.F ./qs_ot_types.F ./qs_loc_dipole.F ./qs_tddfpt_types.F ./mpiwrap/message_passing.F ./mpiwrap/mp_perf_test.F ./mpiwrap/mp_perf_env.F ./atom_basis.F ./fist_nonbond_force.F ./qs_fb_trial_fns_types.F ./gw_small_cell_full_kp.F ./shg_integrals_test.F ./fist_neighbor_list_types.F ./qs_ks_methods.F ./ewald_environment_types.F ./qs_period_efield_types.F ./deepmd_wrapper.F ./constraint_4x6.F ./qs_gcp_utils.F ./mixed_environment.F ./semi_empirical_int3_utils.F ./admm_utils.F ./input_cp2k_kpoints.F ./qs_oce_methods.F ./input_constants.F ./mp2_ri_libint.F ./manybody_quip.F ./paw_proj_set_types.F ./pao_param_gth.F ./qs_fermi_contact.F ./atom_grb.F ./semi_empirical_utils.F ./almo_scf_env_methods.F ./se_fock_matrix_dbg.F ./force_fields_util.F ./qs_tddfpt2_assign.F ./qs_basis_gradient.F ./qs_scf_lanczos.F ./start/input_cp2k.F ./start/cp2k_runs.F ./start/cp2k.F ./start/input_cp2k_motion.F ./start/cp2k_shell.F ./start/libcp2k.F ./fm/cp_dlaf_utils_api.F ./fm/cp_cfm_cholesky.F ./fm/cp_fm_diag.F ./fm/cp_blacs_env.F ./fm/cp_cfm_basic_linalg.F ./fm/cp_linked_list_fm.F ./fm/cp_cfm_types.F ./fm/cp_fm_cholesky.F ./fm/cp_cfm_diag.F ./fm/cp_fm_elpa.F ./fm/cp_blacs_types.F ./fm/cp_fm_pool_types.F ./fm/cp_fm_cusolver_api.F ./fm/cp_fm_struct.F ./fm/cp_fm_types.F ./fm/cp_fm_diag_utils.F ./fm/cp_cfm_dlaf_api.F ./fm/cp_fm_dlaf_api.F ./fm/cp_fm_basic_linalg.F ./input_cp2k_check.F ./input_cp2k_atprop.F ./mao_optimizer.F ./qs_neighbor_lists.F ./qs_fb_buffer_types.F ./localization_tb.F ./mixed_cdft_methods.F ./nequip_unittest.F ./pme_tools.F ./smeagol_interface.F ./qs_operators_ao.F ./qs_dispersion_d2.F ./topology_constraint_util.F ./dm_ls_scf_create.F ./ipi_environment_types.F ./graphcon.F ./qs_fb_hash_table_types.F ./manybody_tersoff.F ./cp2k_debug.F ./qs_fb_matrix_data_types.F ./atom_electronic_structure.F ./dbx/cp_dbcsr_api.F ./fist_efield_types.F ./sirius_interface.F ./post_scf_bandstructure_types.F ./optimize_dmfet_potential.F ./qs_tddfpt2_fprint.F ./dm_ls_chebyshev.F ./ewald_pw_types.F ./qs_interactions.F ./qs_linres_kernel.F ./mp2_setup.F ./qs_core_hamiltonian.F ./pair_potential_types.F ./qs_wf_history_methods.F ./qs_dftb3_methods.F ./qs_tddfpt2_forces.F ./qmmm_se_forces.F ./molecular_dipoles.F ./xas_control.F ./lri_ks_methods.F ./qs_tddfpt2_densities.F ./pw/dirichlet_bc_methods.F ./pw/pw_grid_types.F ./pw/pw_gpu.F ./pw/dg_rho0_types.F ./pw/ps_wavelet_base.F ./pw/ps_implicit_methods.F ./pw/dielectric_types.F ./pw/ps_wavelet_methods.F ./pw/ps_wavelet_fft3d.F ./pw/pw_methods.F ./pw/fft/fft_kinds.F ./pw/fft/fftsg_lib.F ./pw/fft/mltfftsg_tools.F ./pw/fft/fftw3_lib.F ./pw/fft/fft_plan.F ./pw/fft/fft_lib.F ./pw/ps_implicit_types.F ./pw/pw_copy_all.F ./pw/cube_utils.F ./pw/dct.F ./pw/pw_grid_info.F ./pw/dirichlet_bc_types.F ./pw/pw_spline_utils.F ./pw/fft_tools.F ./pw/pw_pool_types.F ./pw/realspace_grid_cube.F ./pw/ps_wavelet_util.F ./pw/ps_wavelet_kernel.F ./pw/ps_wavelet_scaling_function.F ./pw/rs_methods.F ./pw/pw_grids.F ./pw/lazy.F ./pw/dielectric_methods.F ./pw/cp_linked_list_pw.F ./pw/realspace_grid_types.F ./pw/dg_types.F ./pw/ps_wavelet_types.F ./pw/pw_types.F ./pw/dgs.F ./pw/mt_util.F ./pw/pw_poisson_methods.F ./pw/pw_poisson_types.F ./pw/pw_fpga.F ./input_cp2k_opt.F ./qs_scf_methods.F ./optimize_basis.F ./almo_scf_optimizer.F ./input_optimize_input.F ./ec_external.F ./force_field_types.F ./negf_integr_cc.F ./xas_tdp_methods.F ./qs_efield_berry.F ./mao_wfn_analysis.F ./cp_control_utils.F ./wannier_states_types.F ./qs_rho0_methods.F ./statistical_methods.F ./mol_force.F ./pao_main.F ./pwdft_environment.F ./mp2_gpw_method.F ./hfx_screening_methods.F ./input_cp2k_properties_dft.F ./topology_xyz.F ./qs_update_s_mstruct.F ./qs_energy_types.F ./mp2_direct_method.F ./qmmmx_util.F ./xas_tdp_utils.F ./qs_dispersion_cnum.F ./kg_correction.F ./surface_dipole.F ./input_cp2k_atom.F ./pw_env_methods.F ./mp2_optimize_ri_basis.F ./grrm_utils.F ./kg_environment_types.F ./se_core_core.F ./xas_tdp_correction.F ./fist_nonbond_env_types.F ./topology_amber.F ./lri_optimize_ri_basis.F ./qs_mom_types.F ./hfx_communication.F ./almo_scf_lbfgs_types.F ./qs_dftb_types.F ./atoms_input.F ./motion_utils.F ./libgrpp_integrals.F ./mao_basis.F ./qs_tensors.F ./qs_tensors_types.F ./semi_empirical_int_num.F ./minbas_wfn_analysis.F ./input_cp2k_pwdft.F ./rpa_sigma_functional.F ./pair_potential_coulomb.F ./core_ppnl.F ./input_cp2k_harris.F ./qs_scf_post_se.F ./hfx_exx.F ./pao_ml_neuralnet.F ./qs_kind_types.F ./rpa_gw_ic.F ./qs_integrate_potential_single.F ./rpa_im_time.F ./qs_harmonics_atom.F ./pao_optimizer.F ./cp_ddapc.F ./kg_environment.F ./energy_corrections.F ./cp_symmetry.F ./dkh_main.F ./hfx_load_balance_methods.F ./fist_neighbor_lists.F ./qs_rho_methods.F ./fist_pol_scf.F ./qs_o3c_methods.F ./qs_dispersion_d4.F ./xtb_ks_matrix.F ./ipi_environment.F ./almo_scf_methods.F ./environment.F ./dbm/dbm_mpi.c ./dbm/dbm_multiply_opencl.c ./dbm/dbm_distribution.c ./dbm/dbm_library.c ./dbm/dbm_miniapp.c ./dbm/dbm_multiply_cpu.c ./dbm/dbm_matrix.c ./dbm/dbm_mempool.c ./dbm/dbm_shard.c ./dbm/dbm_multiply_comm.c ./dbm/dbm_multiply.c ./dbm/dbm_multiply_gpu.c ./base/openmp_trace.c ./base/machine_cpuid.c ./sockets.c ./grid/ref/grid_ref_task_list.c ./grid/ref/grid_ref_prepare_pab.c ./grid/ref/grid_ref_collocate.c ./grid/ref/grid_ref_integrate.c ./grid/grid_miniapp.c ./grid/cpu/grid_cpu_collocate.c ./grid/cpu/grid_cpu_integrate.c ./grid/cpu/grid_cpu_prepare_pab.c ./grid/cpu/grid_cpu_task_list.c ./grid/common/grid_library.c ./grid/common/grid_basis_set.c ./grid/common/grid_sphere_cache.c ./grid/grid_unittest.c ./grid/grid_replay.c ./grid/grid_task_list.c ./grid/dgemm/grid_dgemm_coefficients.c ./grid/dgemm/grid_dgemm_tensor_local.c ./grid/dgemm/grid_dgemm_collocation_integration.c ./grid/dgemm/grid_dgemm_non_orthorombic_corrections.c ./grid/dgemm/grid_dgemm_collocate.c ./grid/dgemm/grid_dgemm_context.c ./grid/dgemm/grid_dgemm_integrate.c ./grid/dgemm/grid_dgemm_utils.c ./grid/dgemm/grid_dgemm_prepare_pab.c ./offload/offload_buffer.c ./offload/offload_library.c ./start/libcp2k_unittest.c ./fm/cp_fm_cusolver.c ./pw/fpga/fft_fpga.c ./pw/fpga/opencl_utils.c ./pw/gpu/pw_gpu_internal.c /build/reproducible-path/cp2k-2025.1/src/torch_c_api.cpp /build/reproducible-path/cp2k-2025.1/Makefile:145: update target 'all' due to: target is .PHONY /usr/bin/make --no-print-directory -C /build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp -f /build/reproducible-path/cp2k-2025.1/Makefile all INCLUDE_DEPS=true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kinds.o' due to: target does not exist @@ -1535,30 +1571,28 @@ mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/base/machine_cpuid.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_miniapp.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_miniapp.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_matrix.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_matrix.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_mpi.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_mpi.c -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/kinds.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/base/' kinds.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_multiply_gpu.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_multiply_gpu.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_multiply_cpu.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_multiply_cpu.c -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/kahan_sum.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' kahan_sum.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_multiply_opencl.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_multiply_opencl.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_distribution.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_distribution.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_multiply.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_multiply.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_shard.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_shard.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_library.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_library.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_multiply_cpu.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_multiply_cpu.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_matrix.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_matrix.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_mempool.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_mempool.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_shard.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_shard.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_multiply_comm.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_multiply_comm.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_multiply_opencl.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_multiply_opencl.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_multiply.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_multiply.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'dbm_multiply_gpu.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_multiply_gpu.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_miniapp.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/grid_miniapp.c /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fft_kinds.o' due to: target does not exist @@ -1569,56 +1603,58 @@ mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/grid_replay.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_task_list.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/grid_task_list.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_utils.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_utils.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_coefficients.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_coefficients.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_tensor_local.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_tensor_local.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_collocation_integration.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_collocation_integration.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_prepare_pab.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_prepare_pab.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_non_orthorombic_corrections.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_non_orthorombic_corrections.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_integrate.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_integrate.c -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_kinds.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fft_kinds.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_tensor_local.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_tensor_local.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_context.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_context.c -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_plan.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fft_plan.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/kinds.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/base/' kinds.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/kahan_sum.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' kahan_sum.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_kinds.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fft_kinds.F90 /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_collocate.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_collocate.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_coefficients.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_coefficients.c +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_plan.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fft_plan.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_context.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_context.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_integrate.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_integrate.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_utils.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_utils.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_dgemm_prepare_pab.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/dgemm/grid_dgemm_prepare_pab.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_cpu_collocate.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/cpu/grid_cpu_collocate.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_cpu_integrate.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/cpu/grid_cpu_integrate.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_cpu_prepare_pab.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/cpu/grid_cpu_prepare_pab.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_cpu_task_list.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/cpu/grid_cpu_task_list.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_cpu_integrate.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/cpu/grid_cpu_integrate.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_cpu_collocate.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/cpu/grid_cpu_collocate.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_ref_task_list.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/ref/grid_ref_task_list.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_ref_prepare_pab.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/ref/grid_ref_prepare_pab.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_ref_collocate.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/ref/grid_ref_collocate.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_ref_integrate.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/ref/grid_ref_integrate.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_ref_prepare_pab.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/ref/grid_ref_prepare_pab.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_ref_task_list.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/ref/grid_ref_task_list.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_sphere_cache.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/common/grid_sphere_cache.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_library.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/common/grid_library.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_basis_set.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/common/grid_basis_set.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_sphere_cache.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/common/grid_sphere_cache.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'cp_fm_cusolver.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_cusolver.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'pw_gpu_internal.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/pw/gpu/pw_gpu_internal.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'opencl_utils.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/pw/fpga/opencl_utils.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'fft_fpga.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/pw/fpga/fft_fpga.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'opencl_utils.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/pw/fpga/opencl_utils.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'grid_unittest.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/grid/grid_unittest.c /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dumpdcd.o' due to: target does not exist @@ -1627,82 +1663,79 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_input_constants.F xc_input_constants.F90 /build/reproducible-path/cp2k-2025.1/Makefile:493: update target '/build/reproducible-path/cp2k-2025.1/obj/git-ref' due to: target does not exist echo git:9635df4 > "/build/reproducible-path/cp2k-2025.1/obj/git-ref.tmp" +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dumpdcd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dumpdcd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_input_constants.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_input_constants.F90 cmp "/build/reproducible-path/cp2k-2025.1/obj/git-ref.tmp" "/build/reproducible-path/cp2k-2025.1/obj/git-ref" || mv -f "/build/reproducible-path/cp2k-2025.1/obj/git-ref.tmp" "/build/reproducible-path/cp2k-2025.1/obj/git-ref" cmp: /build/reproducible-path/cp2k-2025.1/obj/git-ref: No such file or directory /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constants_operator.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_int/constants_operator.F constants_operator.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dumpdcd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dumpdcd.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'trexio.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/trexio.F trexio.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pilaenv_hack.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pilaenv_hack.F pilaenv_hack.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_input_constants.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_input_constants.F90 /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'sockets.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/sockets.c /build/reproducible-path/cp2k-2025.1/Makefile:534: update target 'torch_c_api.o' due to: target does not exist g++ -c -g -O2 -ffile-prefix-map=/build/reproducible-path/cp2k-2025.1=. -fstack-protector-strong -fstack-clash-protection -Wformat -Werror=format-security -fcf-protection /build/reproducible-path/cp2k-2025.1/src/torch_c_api.cpp /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xyz2dcd.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/xyz2dcd.F xyz2dcd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/constants_operator.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' constants_operator.F90 /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'libcp2k_unittest.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/start/libcp2k_unittest.c /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kinds.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fft_kinds.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/constants_operator.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' constants_operator.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fft_plan.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"trexio.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' trexio.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pilaenv_hack.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pilaenv_hack.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/xyz2dcd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' xyz2dcd.F90 /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a" /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgpu.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgpu.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a grid_sphere_cache.o grid_library.o grid_basis_set.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a grid_library.o grid_basis_set.o grid_sphere_cache.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcommon.a /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgpu.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgpu.a pw_gpu_internal.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgpu.a -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pilaenv_hack.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pilaenv_hack.F90 Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a opencl_utils.o fft_fpga.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a fft_fpga.o opencl_utils.o /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_constants.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_constants.F input_constants.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"trexio.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' trexio.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/xyz2dcd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' xyz2dcd.F90 +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minimax_exp_k53.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minimax/minimax_exp_k53.F minimax_exp_k53.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_input_constants.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constants_operator.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'machine.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/base/machine.F machine.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'string_utilities.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/string_utilities.F string_utilities.F90 /build/reproducible-path/cp2k-2025.1/src/motion/xyz2dcd.F:605:4: 605 | SUBROUTINE build_h_matrix(a, b, c, alpha, beta, gamma, h) | ^~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'build_h_matrix' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'machine.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/base/machine.F machine.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_constants.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_constants.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'timings_base_type.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/timings_base_type.F timings_base_type.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'string_utilities.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/string_utilities.F string_utilities.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mathconstants.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/mathconstants.F mathconstants.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lapack.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/lapack.F lapack.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_constants.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_constants.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_utilities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' string_utilities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_base_type.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings_base_type.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/base/' machine.F90 -/build/reproducible-path/cp2k-2025.1/src/common/string_utilities.F:26:45: - - 26 | CHARACTER(LEN=1), PARAMETER :: backslash = '\\' - | 1 -Warning: CHARACTER expression at (1) is being truncated (2/1) [-Wcharacter-truncation] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathconstants.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' mathconstants.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constants_operator.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/machine.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/base/' machine.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_base_type.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings_base_type.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathconstants.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' mathconstants.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_utilities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' string_utilities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k53.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp_k53.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lapack.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' lapack.F90 /build/reproducible-path/cp2k-2025.1/src/base/machine.F:393:10: 393 | SUBROUTINE abort() BIND(C, name="abort") @@ -1738,24 +1771,15 @@ 707 | FUNCTION rename(src, dest) BIND(C, name="rename") RESULT(errno) | 1 Warning: 'rename' declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lapack.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' lapack.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'timings_base_type.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/common/string_utilities.F:26:45: + + 26 | CHARACTER(LEN=1), PARAMETER :: backslash = '\\' + | 1 +Warning: CHARACTER expression at (1) is being truncated (2/1) [-Wcharacter-truncation] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_constants.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mathconstants.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'physcon.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/physcon.F physcon.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lapack.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k53.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp_k53.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/physcon.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' physcon.F90 -/build/reproducible-path/cp2k-2025.1/src/common/string_utilities.F:3127:3: - - 3127 | PURE FUNCTION s2a_60(s1, s2, s3, s4, s5, s6, s7, s8, s9, s10, & - | ^ -Warning: 's2a_60' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/src/motion/xyz2dcd.F:488:81: 488 | (r(iatom, 3) - r0(iatom, 3))**2) @@ -1796,18 +1820,30 @@ 58 | REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE :: r, r_pbc, r0, s, s_pbc | ^~~~~ note: 's_pbc.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'physcon.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mathconstants.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lapack.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'physcon.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/physcon.F physcon.F90 +/build/reproducible-path/cp2k-2025.1/src/common/string_utilities.F:3127:3: + + 3127 | PURE FUNCTION s2a_60(s1, s2, s3, s4, s5, s6, s7, s8, s9, s10, & + | ^ +Warning: 's2a_60' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/physcon.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' physcon.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'machine.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'base_hooks.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/base/base_hooks.F base_hooks.F90 /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgriddgemm.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgriddgemm.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgriddgemm.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgriddgemm.a grid_dgemm_utils.o grid_dgemm_collocation_integration.o grid_dgemm_prepare_pab.o grid_dgemm_non_orthorombic_corrections.o grid_dgemm_integrate.o grid_dgemm_tensor_local.o grid_dgemm_context.o grid_dgemm_collocate.o grid_dgemm_coefficients.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgriddgemm.a grid_dgemm_coefficients.o grid_dgemm_tensor_local.o grid_dgemm_collocation_integration.o grid_dgemm_non_orthorombic_corrections.o grid_dgemm_collocate.o grid_dgemm_context.o grid_dgemm_integrate.o grid_dgemm_utils.o grid_dgemm_prepare_pab.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgriddgemm.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'machine.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/base_hooks.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/base/' base_hooks.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'physcon.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'base_hooks.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/base/base_hooks.F base_hooks.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"base/base_hooks.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/base/' base_hooks.F90 /build/reproducible-path/cp2k-2025.1/src/motion/dumpdcd.F:844:83: 844 | WRITE (UNIT=output_unit) REAL(atomic_displacement(:), KIND=sp) @@ -1838,15 +1874,20 @@ 91 | REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE :: r_pbc, r0, s, s_pbc | ^~ note: 'r0.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a grid_ref_task_list.o grid_ref_prepare_pab.o grid_ref_collocate.o grid_ref_integrate.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'base_hooks.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a machine.o kinds.o base_hooks.o openmp_trace.o machine_cpuid.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a kinds.o base_hooks.o machine.o openmp_trace.o machine_cpuid.o /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_api.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbx/cp_dbcsr_api.F cp_dbcsr_api.F90 +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_allocate_wrap.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_allocate_wrap.F dbt_allocate_wrap.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mltfftsg_tools.o' due to: target does not exist @@ -1861,91 +1902,133 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_inpp_types.F cp_parser_inpp_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'orbital_pointers.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_pointers.F orbital_pointers.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbx/cp_dbcsr_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbx/' cp_dbcsr_api.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'orbital_symbols.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_symbols.F orbital_symbols.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_allocate_wrap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_allocate_wrap.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'shell_potential_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/shell_potential_types.F shell_potential_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbx/cp_dbcsr_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbx/' cp_dbcsr_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/mltfftsg_tools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' mltfftsg_tools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/damping_dipole_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' damping_dipole_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_field_kind_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/force_field_kind_types.F force_field_kind_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_allocate_wrap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_allocate_wrap.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atprop_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/atprop_types.F atprop_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/damping_dipole_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' damping_dipole_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/mltfftsg_tools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' mltfftsg_tools.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_buffer_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_buffer_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'virial_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/virial_types.F virial_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_ilist_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_ilist_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atprop_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/atprop_types.F atprop_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_inpp_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dlaf_utils_api.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_dlaf_utils_api.F cp_dlaf_utils_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_inpp_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_pointers.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' orbital_pointers.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'sto_ng.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/sto_ng.F sto_ng.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_symbols.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' orbital_symbols.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_overlap3_debug.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap3_debug.F ai_overlap3_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' shell_potential_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_contraction.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_contraction.F ai_contraction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_pointers.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' orbital_pointers.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_symbols.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' orbital_symbols.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_overlap_debug.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap_debug.F ai_overlap_debug.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_contraction_sphi.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_contraction_sphi.F ai_contraction_sphi.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_contraction.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_contraction.F ai_contraction.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_onecenter.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_onecenter.F ai_onecenter.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/force_field_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' force_field_kind_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_contraction_sphi.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_contraction_sphi.F ai_contraction_sphi.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_types.F ps_wavelet_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atprop_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' atprop_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lazy.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/lazy.F lazy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/virial_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' virial_types.F90 -/build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_symbols.F:126:31: - - 126 | symbol(i:i) = l_sym(l) - | ^ -Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_symbols.F:112:61: - - 112 | INTEGER :: i - | ^ -note: 'i' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_fft3d.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_fft3d.F ps_wavelet_fft3d.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_dlaf_utils_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_dlaf_utils_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap3_debug.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lazy.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/lazy.F lazy.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'graph_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph_utils.F graph_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/sto_ng.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' sto_ng.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_energy_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_energy_types.F fist_energy_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'exclusion_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/exclusion_types.F exclusion_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction_sphi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_contraction_sphi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_contraction.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'splines_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/splines_types.F splines_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_onecenter.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_onecenter.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'deepmd_wrapper.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/deepmd_wrapper.F deepmd_wrapper.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'torch_api.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/torch_api.F torch_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_gaussian_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_types.F qmmm_gaussian_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/lazy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' lazy.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minimax_exp_k15.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minimax/minimax_exp_k15.F minimax_exp_k15.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_util.F eri_mme_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_fft3d.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_fft3d.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/' graph_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_types.F qs_dftb_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_energy_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_expns3_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_expns3_types.F semi_empirical_expns3_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_mpole_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_mpole_types.F semi_empirical_mpole_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'taper_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/taper_types.F taper_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_arrays.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_arrays.F semi_empirical_int_arrays.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_dlaf_utils_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_dlaf_utils_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/force_field_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' force_field_kind_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/virial_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' virial_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atprop_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' atprop_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/sto_ng.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' sto_ng.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/shell_potential_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' shell_potential_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap3_debug.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap_debug.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_onecenter.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_onecenter.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_contraction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_contraction_sphi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_contraction_sphi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_fft3d.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_fft3d.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exclusion_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' exclusion_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/' graph_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/lazy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' lazy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_expns3_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"deepmd_wrapper.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' deepmd_wrapper.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' splines_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"torch_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' torch_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_mpole_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k15.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp_k15.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"taper_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' taper_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_arrays.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_arrays.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_energy_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_energy_types.F mixed_energy_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_energy_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_energy_types.F qs_energy_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho_atom_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho_atom_types.F qs_rho_atom_types.F90 +/build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_symbols.F:126:31: + + 126 | symbol(i:i) = l_sym(l) + | ^ +Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_symbols.F:112:61: + + 112 | INTEGER :: i + | ^ +note: 'i' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'block_p_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/block_p_types.F block_p_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_atom_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"block_p_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' block_p_types.F90 +/build/reproducible-path/cp2k-2025.1/src/torch_api.F:479:14: + + 479 | CPASSERT(ABS(temp) < HUGE(dest)) + | ^ +Warning: 'temp' is used uninitialized [-Wuninitialized] +/build/reproducible-path/cp2k-2025.1/src/torch_api.F:477:61: + + 477 | INTEGER(kind=int_8) :: temp + | ^~~~ +note: 'temp' was declared here /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_onecenter.F:799:4: 799 | SUBROUTINE sto_conf(gmat, rc, k, na, pa, nb, pb) @@ -1991,151 +2074,131 @@ 1157 | SUBROUTINE num_conf(gmat, rc, k, ra, rb, r, wr) | ^~~~~~~~~~~~~~~~~~~ Warning: 'num_conf' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_expns3_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_expns3_types.F semi_empirical_expns3_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exclusion_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' exclusion_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"deepmd_wrapper.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' deepmd_wrapper.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_mpole_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_mpole_types.F semi_empirical_mpole_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' splines_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'taper_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/taper_types.F taper_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_arrays.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_arrays.F semi_empirical_int_arrays.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_energy_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_energy_types.F mixed_energy_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_energy_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_energy_types.F qs_energy_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"torch_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' torch_api.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho_atom_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho_atom_types.F qs_rho_atom_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'block_p_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/block_p_types.F block_p_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_helpers.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_helpers.F hfx_helpers.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_expns3_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_ff_fist.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_ff_fist.F qmmm_ff_fist.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_k15.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp_k15.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_mpole_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_rho_cflags_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_rho_cflags_types.F xc_rho_cflags_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"taper_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' taper_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'integration_grid_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/integration_grid_types.F integration_grid_types.F90 -/build/reproducible-path/cp2k-2025.1/src/torch_api.F:479:14: - - 479 | CPASSERT(ABS(temp) < HUGE(dest)) - | ^ -Warning: 'temp' is used uninitialized [-Wuninitialized] -/build/reproducible-path/cp2k-2025.1/src/torch_api.F:477:61: - - 477 | INTEGER(kind=int_8) :: temp - | ^~~~ -note: 'temp' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_arrays.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_arrays.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_charges_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_charges_types.F qs_charges_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_energy_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_atom_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_trial_fns_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_trial_fns_types.F qs_fb_trial_fns_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_compression_core_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfxbase/hfx_compression_core_methods.F hfx_compression_core_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"block_p_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' block_p_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'wannier_states_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/wannier_states_types.F wannier_states_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_helpers.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_helpers.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'sockets_interface.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/sockets_interface.F sockets_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_ff_fist.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_ff_fist.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_cflags_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_rho_cflags_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'simpar_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/simpar_types.F simpar_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_ener_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_ener_types.F md_ener_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"integration_grid_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' integration_grid_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_helpers.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_helpers.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_ff_fist.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_ff_fist.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mm_mapping_library.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mm_mapping_library.F mm_mapping_library.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charges_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_charges_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'spglib_f08.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/spglib_f08.F spglib_f08.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'simpar_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/simpar_types.F simpar_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'beta_gamma_psi.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/beta_gamma_psi.F beta_gamma_psi.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_functionals_utilities.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_functionals_utilities.F xc_functionals_utilities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_trial_fns_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_trial_fns_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' wannier_states_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'arnoldi_geev.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_geev.F arnoldi_geev.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_hash_table_functions.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_hash_table_functions.F qs_hash_table_functions.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_fb_trial_fns_types.F:162:4: - - 162 | SUBROUTINE fb_trial_fns_init(trial_fns) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'fb_trial_fns_init' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sockets_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' sockets_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charges_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_charges_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_trial_fns_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_trial_fns_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"integration_grid_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' integration_grid_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' wannier_states_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_overlap3_debug.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"simpar_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' simpar_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_ener_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_ener_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_mapping_library.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mm_mapping_library.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_cflags_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_rho_cflags_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sockets_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' sockets_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"beta_gamma_psi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' beta_gamma_psi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_functionals_utilities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_functionals_utilities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_geev.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_geev.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spglib_f08.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' spglib_f08.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"simpar_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' simpar_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eeq_data.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eeq_data.F eeq_data.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_mapping_library.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mm_mapping_library.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_contraction_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfxbase/hfx_contraction_methods.F hfx_contraction_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spglib_f08.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' spglib_f08.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_contract_block.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfxbase/hfx_contract_block.F hfx_contract_block.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_alloc_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_alloc_types.F negf_alloc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"beta_gamma_psi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' beta_gamma_psi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_functionals_utilities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_functionals_utilities.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'uff_vdw_radii_table.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/uff_vdw_radii_table.F uff_vdw_radii_table.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_geev.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_geev.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_buffer_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_buffer_types.F qs_fb_buffer_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_hash_table_functions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_hash_table_functions.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'wannier90.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/wannier90.F wannier90.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minimax_exp_gw.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minimax/minimax_exp_gw.F minimax_exp_gw.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minimax_rpa.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minimax/minimax_rpa.F minimax_rpa.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eeq_data.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eeq_data.F90 -/build/reproducible-path/cp2k-2025.1/src/beta_gamma_psi.F:1092:4: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_hash_table_functions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_hash_table_functions.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_fb_trial_fns_types.F:162:4: - 1092 | SUBROUTINE bratio(a, b, x, y, w, w1, ierr) - | ^~~~~~~~~~~~~~~~~ -Warning: 'bratio' defined but not used [-Wunused-function] + 162 | SUBROUTINE fb_trial_fns_init(trial_fns) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'fb_trial_fns_init' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_compression_core_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/hfxbase/' hfx_compression_core_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_alloc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_alloc_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hdf5_wrapper.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hdf5_wrapper.F hdf5_wrapper.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_alloc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_alloc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"uff_vdw_radii_table.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' uff_vdw_radii_table.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_gaussian_data.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_data.F qmmm_gaussian_data.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"uff_vdw_radii_table.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' uff_vdw_radii_table.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eeq_data.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eeq_data.F90 +/build/reproducible-path/cp2k-2025.1/src/beta_gamma_psi.F:1092:4: + + 1092 | SUBROUTINE bratio(a, b, x, y, w, w1, ierr) + | ^~~~~~~~~~~~~~~~~ +Warning: 'bratio' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier90.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' wannier90.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contract_block.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/hfxbase/' hfx_contract_block.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_buffer_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_gw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp_gw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hdf5_wrapper.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hdf5_wrapper.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_data.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_data.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_ener_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_ener_types.F md_ener_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mdctrl_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mdctrl_types.F mdctrl_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_integr_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_integr_utils.F negf_integr_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_buffer_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_buffer_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_compression_core_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/hfxbase/' hfx_compression_core_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_rpa.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_rpa.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'farming_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/farming_types.F farming_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier90.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' wannier90.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_integr_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_integr_utils.F negf_integr_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mao_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mao_types.F mao_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp_gw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp_gw.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_stati.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_stati.F tmc_stati.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_tree_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_types.F tmc_tree_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_ener_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_ener_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_move_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_move_types.F tmc_move_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_utils.F tmc_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'memory_utilities.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/memory_utilities.F memory_utilities.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'callgraph.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/callgraph.F callgraph.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fparser.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/fparser.F fparser.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_iter_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_iter_types.F cp_iter_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mdctrl_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mdctrl_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' farming_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_stati.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_stati.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_move_types.F90 /build/reproducible-path/cp2k-2025.1/src/qs_fb_buffer_types.F:202:4: 202 | SUBROUTINE fb_buffer_i_associate(a, b) @@ -2146,57 +2209,23 @@ 518 | SUBROUTINE fb_buffer_d_associate(a, b) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'fb_buffer_d_associate' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hdf5_wrapper.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hdf5_wrapper.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_move_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_move_types.F tmc_move_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mdctrl_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mdctrl_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contract_block.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/hfxbase/' hfx_contract_block.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_data.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_data.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_utils.F tmc_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_integr_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'memory_utilities.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/memory_utilities.F memory_utilities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' farming_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_stati.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_stati.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_array_sort.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_array_sort.F cp_array_sort.F90 -/build/reproducible-path/cp2k-2025.1/src/negf_integr_utils.F:181:3: - - 181 | PURE FUNCTION get_axis_rotation_angle(a, b) RESULT(phi) - | ^ -Warning: 'get_axis_rotation_angle' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list_routinestat.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list_routinestat.F list_routinestat.F90 -/build/reproducible-path/cp2k-2025.1/src/mao_types.F:38:4: - - 38 | SUBROUTINE create_mao_type(mao_env) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'create_mao_type' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_rpa.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_rpa.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_move_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'string_table.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/string_table.F string_table.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'callgraph.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/callgraph.F callgraph.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list_callstackentry.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list_callstackentry.F list_callstackentry.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'routine_map.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/routine_map.F routine_map.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/fparser.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' fparser.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/callgraph.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' callgraph.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_files.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_files.F cp_files.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' memory_utilities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_sort.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_array_sort.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list_routinereport.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list_routinereport.F list_routinereport.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinestat.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_routinestat.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' string_table.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/callgraph.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' callgraph.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_integr_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' memory_utilities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp_perf_env.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mpiwrap/mp_perf_env.F mp_perf_env.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list_callstackentry.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list_callstackentry.F list_callstackentry.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list_routinestat.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list_routinestat.F list_routinestat.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_files.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_files.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/mp_perf_env.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/mpiwrap/' mp_perf_env.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_iter_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_iter_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_callstackentry.F90 /build/reproducible-path/cp2k-2025.1/src/minimax/minimax_exp_gw.F:79:10: 79 | IF (E_ratio > 1.5_dp) THEN @@ -2207,9 +2236,19 @@ 45 | REAL(KIND=dp) :: E_ratio | ^~~~~~~ note: 'e_ratio' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'offload_api.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/offload/offload_api.F offload_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_callstackentry.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_callstackentry.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'routine_map.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/routine_map.F routine_map.F90 +/build/reproducible-path/cp2k-2025.1/src/mao_types.F:38:4: + + 38 | SUBROUTINE create_mao_type(mao_env) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'create_mao_type' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/negf_integr_utils.F:181:3: + + 181 | PURE FUNCTION get_axis_rotation_angle(a, b) RESULT(phi) + | ^ +Warning: 'get_axis_rotation_angle' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinestat.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_routinestat.F90 /build/reproducible-path/cp2k-2025.1/src/common/callgraph.F:17:6: 17 | #:call hash_map(prefix='callgraph', & @@ -2225,11 +2264,56 @@ 17 | #:call hash_map(prefix='callgraph', & | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'callgraph_update' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/routine_map.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' routine_map.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_iter_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_iter_types.F cp_iter_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_files.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_files.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinereport.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_routinereport.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list_routinereport.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list_routinereport.F list_routinereport.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contraction_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/hfxbase/' hfx_contraction_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:350:3: + + 350 | FUNCTION EvalErrMsg() RESULT(msg) + | ^ +Warning: 'evalerrmsg' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'offload_api.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/offload/offload_api.F offload_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/routine_map.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' routine_map.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_routinereport.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_routinereport.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bessel_lib.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/bessel_lib.F bessel_lib.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_array_sort.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_array_sort.F cp_array_sort.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gamma.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/gamma.F gamma.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'structure_factor_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/structure_factor_types.F structure_factor_types.F90 +/build/reproducible-path/cp2k-2025.1/src/common/callgraph.F:17:32: + + 17 | #:call hash_map(prefix='callgraph', & + | ^ +Warning: 'value' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/callgraph.F:17:72: + + 17 | #:call hash_map(prefix='callgraph', & + | ^ +note: 'value' was declared here +/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:498:38: + + 498 | IF (PRESENT(ibegin)) ibegin = ib + | ^ +Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:473:61: + + 473 | INTEGER :: ib, in, j, lstr + | ^~ +note: 'ib' was declared here +/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:499:36: + + 499 | IF (PRESENT(inext)) inext = in + | ^ +Warning: 'in' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:473:65: + + 473 | INTEGER :: ib, in, j, lstr + | ^~ +note: 'in' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lebedev.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/lebedev.F lebedev.F90 /build/reproducible-path/cp2k-2025.1/src/common/routine_map.F:16:6: @@ -2247,32 +2331,34 @@ 16 | #:call hash_map(prefix='routine_map', & | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'routine_map_update' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/mp_perf_env.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/mpiwrap/' mp_perf_env.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"offload/offload_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/offload/' offload_api.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'spherical_harmonics.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/spherical_harmonics.F spherical_harmonics.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_result_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_result_types.F cp_result_types.F90 -/build/reproducible-path/cp2k-2025.1/src/common/callgraph.F:17:32: +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'string_table.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/string_table.F string_table.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bessel_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' bessel_lib.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'linear_systems.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/linear_systems.F linear_systems.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'whittaker.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/whittaker.F whittaker.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_sort.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_array_sort.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'powell.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/powell.F powell.F90 +/build/reproducible-path/cp2k-2025.1/src/minimax/minimax_rpa.F:10163:10: - 17 | #:call hash_map(prefix='callgraph', & - | ^ -Warning: 'value' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/callgraph.F:17:72: +10163 | IF (E_ratio > 1.5_dp) THEN + | ^ +Warning: 'e_ratio' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/minimax/minimax_rpa.F:10129:61: - 17 | #:call hash_map(prefix='callgraph', & - | ^ -note: 'value' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_iter_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_iter_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"offload/offload_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/offload/' offload_api.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'd3_poly.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F d3_poly.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'structure_factor_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/structure_factor_types.F structure_factor_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' lebedev.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'print_messages.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/print_messages.F print_messages.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gamma.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/gamma.F gamma.F90 +10129 | REAL(KIND=dp) :: E_ratio + | ^~~~~~~ +note: 'e_ratio' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'splines.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/splines.F splines.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' structure_factor_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' gamma.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/string_table.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' string_table.F90 /build/reproducible-path/cp2k-2025.1/src/common/routine_map.F:16:34: 16 | #:call hash_map(prefix='routine_map', & @@ -2283,33 +2369,146 @@ 16 | #:call hash_map(prefix='routine_map', & | ^ note: 'value' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_result_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fparser.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/fparser.F fparser.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/spherical_harmonics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' spherical_harmonics.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bessel_lib.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/bessel_lib.F bessel_lib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/d3_poly.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' d3_poly.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'whittaker.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/whittaker.F whittaker.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_min_heap.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_min_heap.F cp_min_heap.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factor_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' structure_factor_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/print_messages.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' print_messages.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'splines.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/splines.F splines.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/gamma.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' gamma.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eigenvalueproblems.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/eigenvalueproblems.F eigenvalueproblems.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/lebedev.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' lebedev.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_result_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_result_types.F cp_result_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/spherical_harmonics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' spherical_harmonics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' linear_systems.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' whittaker.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' powell.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' splines.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'print_messages.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/print_messages.F print_messages.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_min_heap.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_min_heap.F cp_min_heap.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'd3_poly.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F d3_poly.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mathlib.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/mathlib.F mathlib.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_api.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_allocate_wrap.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:1022:23: + + 1022 | vals(ipar) = xval + | ^ +Warning: 'xval' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:988:65: + + 988 | hh, xval + | ^~~~ +note: 'xval' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a" +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_result_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a' due to: target does not exist +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a" +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a cp_dbcsr_api.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' eigenvalueproblems.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/print_messages.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' print_messages.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'damping_dipole_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/common/gamma.F:281:4: 281 | SUBROUTINE fgamma_1(nmax, t, f) | ^~~~~~~~~~~~~~~~~~~ Warning: 'fgamma_1' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'linear_systems.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/linear_systems.F linear_systems.F90 +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a +/build/reproducible-path/cp2k-2025.1/src/common/whittaker.F:111:4: + + 111 | SUBROUTINE whittaker_c0(wc, r, expa, erfa, alpha, l, n) + | ^~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'whittaker_c0' defined but not used [-Wunused-function] +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a grid_cpu_collocate.o grid_cpu_integrate.o grid_cpu_prepare_pab.o grid_cpu_task_list.o +/build/reproducible-path/cp2k-2025.1/src/common/splines.F:261:4: + + 261 | SUBROUTINE spline3valder(x, xi, c, val, der) + | ^~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'spline3valder' defined but not used [-Wunused-function] +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_buffer_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_min_heap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_min_heap.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/d3_poly.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' d3_poly.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_ilist_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_inpp_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_parser_status_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_status_types.F cp_parser_status_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'orbital_pointers.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'orbital_symbols.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/hfxbase/hfx_compression_core_methods.F:67:4: + + 67 | SUBROUTINE ints2ints(Ndata, packed_data, full_data) + | ^~~~~~~~~~~~~~~~~~~~ +Warning: 'ints2ints' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'shell_potential_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_field_kind_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathlib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' mathlib.F90 +/build/reproducible-path/cp2k-2025.1/src/common/eigenvalueproblems.F:146:4: + + 146 | SUBROUTINE cp2k_sgesvd(matrix, svalues, mrow, ncol, uvec, vtvec) + | ^~~~~~~~~~~~~~~~~~~~~~ +Warning: 'cp2k_sgesvd' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/eigenvalueproblems.F:180:4: + + 180 | SUBROUTINE cp2k_cgesvd(matrix, svalues, mrow, ncol, uvec, vtvec) + | ^~~~~~~~~~~~~~~~~~~~~~ +Warning: 'cp2k_cgesvd' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atprop_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'virial_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dlaf_utils_api.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'sto_ng.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_angmom.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_angmom.F ai_angmom.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_oneelectron.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_oneelectron.F ai_oneelectron.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_status_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_derivatives.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_derivatives.F ai_derivatives.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_overlap_aabb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap_aabb.F ai_overlap_aabb.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_fermi_contact.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_fermi_contact.F ai_fermi_contact.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_overlap_debug.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_overlap3.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap3.F ai_overlap3.F90 +/build/reproducible-path/cp2k-2025.1/src/common/cp_min_heap.F:73:3: + + 73 | ELEMENTAL FUNCTION get_right_child(n) RESULT(child) + | ^ +Warning: 'get_right_child' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/cp_min_heap.F:100:3: + + 100 | ELEMENTAL FUNCTION get_value_by_key(heap, key) RESULT(value) + | ^ +Warning: 'get_value_by_key' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/spherical_harmonics.F:379:20: + + 379 | END FUNCTION sfac + | ^ +Warning: '__result_sfac' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/spherical_harmonics.F:360:3: + + 360 | FUNCTION sfac(n) + | ^ +note: '__result_sfac' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_angmom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_angmom.F90 /build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:235:3: 235 | PURE FUNCTION mono_index1(i) RESULT(res) @@ -2375,7 +2574,6 @@ 1173 | SUBROUTINE poly_p_eval3(p, x, pRes, npoly) | ^~~~~~~~~~~~~~~~~~~~~~~ Warning: 'poly_p_eval3' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/fparser.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' fparser.F90 /build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1277:4: 1277 | SUBROUTINE poly_padd_uneval3(p, x, pRes, npoly) @@ -2411,186 +2609,73 @@ 1751 | SUBROUTINE poly_derive3(p, pRes, npoly, sumUp) | ^~~~~~~~~~~~~~~~~~~~~~~ Warning: 'poly_derive3' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bessel_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' bessel_lib.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'powell.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/powell.F powell.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a" -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/whittaker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' whittaker.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_min_heap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_min_heap.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_api.mod' due to: target does not exist -true -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a offload_api.o offload_buffer.o offload_library.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/splines.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' splines.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/eigenvalueproblems.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' eigenvalueproblems.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a" -/build/reproducible-path/cp2k-2025.1/src/common/cp_min_heap.F:73:3: - - 73 | ELEMENTAL FUNCTION get_right_child(n) RESULT(child) - | ^ -Warning: 'get_right_child' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/cp_min_heap.F:100:3: - - 100 | ELEMENTAL FUNCTION get_value_by_key(heap, key) RESULT(value) - | ^ -Warning: 'get_value_by_key' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:350:3: - - 350 | FUNCTION EvalErrMsg() RESULT(msg) - | ^ -Warning: 'evalerrmsg' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/mathlib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' mathlib.F90 -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a cp_dbcsr_api.o -/build/reproducible-path/cp2k-2025.1/src/common/whittaker.F:111:4: - - 111 | SUBROUTINE whittaker_c0(wc, r, expa, erfa, alpha, l, n) - | ^~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'whittaker_c0' defined but not used [-Wunused-function] -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a grid_ref_collocate.o grid_ref_integrate.o grid_ref_prepare_pab.o grid_ref_task_list.o -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'damping_dipole_types.mod' due to: target does not exist -true -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a -/build/reproducible-path/cp2k-2025.1/src/common/splines.F:261:4: - - 261 | SUBROUTINE spline3valder(x, xi, c, val, der) - | ^~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'spline3valder' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/linear_systems.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' linear_systems.F90 -/build/reproducible-path/cp2k-2025.1/src/common/eigenvalueproblems.F:146:4: - - 146 | SUBROUTINE cp2k_sgesvd(matrix, svalues, mrow, ncol, uvec, vtvec) - | ^~~~~~~~~~~~~~~~~~~~~~ -Warning: 'cp2k_sgesvd' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/eigenvalueproblems.F:180:4: - - 180 | SUBROUTINE cp2k_cgesvd(matrix, svalues, mrow, ncol, uvec, vtvec) - | ^~~~~~~~~~~~~~~~~~~~~~ -Warning: 'cp2k_cgesvd' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_buffer_types.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfxbase/hfx_contraction_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/hfxbase/' hfx_contraction_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/powell.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' powell.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_ilist_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_inpp_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_parser_status_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_status_types.F cp_parser_status_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'orbital_pointers.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'orbital_symbols.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'shell_potential_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_field_kind_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/common/spherical_harmonics.F:379:20: - - 379 | END FUNCTION sfac - | ^ -Warning: '__result_sfac' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/spherical_harmonics.F:360:3: - - 360 | FUNCTION sfac(n) - | ^ -note: '__result_sfac' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atprop_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'virial_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dlaf_utils_api.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'sto_ng.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_derivatives.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_derivatives.F ai_derivatives.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_fermi_contact.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_fermi_contact.F ai_fermi_contact.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_oneelectron.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_oneelectron.F ai_oneelectron.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_overlap_debug.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_overlap_aabb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap_aabb.F ai_overlap_aabb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_status_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_status_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_overlap3.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap3.F ai_overlap3.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_angmom.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_angmom.F ai_angmom.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_types.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_oneelectron.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_oneelectron.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_derivatives.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_derivatives.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_aabb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap_aabb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_fermi_contact.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bessel_lib.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:498:38: - - 498 | IF (PRESENT(ibegin)) ibegin = ib - | ^ -Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:473:61: - - 473 | INTEGER :: ib, in, j, lstr - | ^~ -note: 'ib' was declared here -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:499:36: - - 499 | IF (PRESENT(inext)) inext = in - | ^ -Warning: 'in' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:473:65: - - 473 | INTEGER :: ib, in, j, lstr - | ^~ -note: 'in' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_fft3d.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lazy.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'graph_utils.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_derivatives.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_derivatives.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_energy_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_fermi_contact.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'exclusion_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'splines_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_oneelectron.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_oneelectron.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'deepmd_wrapper.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1829:23: + + 1829 | qbeg = sg + cf + | ^ +Warning: 'sg' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1669:26: + + 1669 | reduc, sg, sgk, shs, ss, sth, temp, tempa, tempb + | ^~ +note: 'sg' was declared here +/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1828:30: + + 1828 | cf = half*(shs - dhd) + | ^ +Warning: 'shs' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1669:35: + + 1669 | reduc, sg, sgk, shs, ss, sth, temp, tempa, tempb + | ^~~ +note: 'shs' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'torch_api.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gaussian_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_exp_k53.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_util.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_aabb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap_aabb.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_expns3_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap3.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap3.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap3.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_mpole_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:54:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_angmom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_angmom.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'taper_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_onecenter.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'splines.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_arrays.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_energy_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_energy_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho_atom_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'whittaker.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/common/lebedev.F:146:42: 146 | END FUNCTION get_number_of_lebedev_grid @@ -2601,22 +2686,18 @@ 113 | FUNCTION get_number_of_lebedev_grid(l, n) RESULT(number_of_lebedev_grid) | ^ note: 'number_of_lebedev_grid' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_energy_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho_atom_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'whittaker.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'block_p_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_helpers.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'libint_wrapper.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/libint_wrapper.F libint_wrapper.F90 -/build/reproducible-path/cp2k-2025.1/src/minimax/minimax_rpa.F:10163:10: - -10163 | IF (E_ratio > 1.5_dp) THEN - | ^ -Warning: 'e_ratio' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/minimax/minimax_rpa.F:10129:61: - -10129 | REAL(KIND=dp) :: E_ratio - | ^~~~~~~ -note: 'e_ratio' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_ff_fist.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hartree_local_types.o' due to: target does not exist @@ -2631,18 +2712,6 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_trial_fns_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'transport_env_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/transport_env_types.F transport_env_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'wannier_states_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'sockets_interface.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'simpar_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_ener_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'string_table.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/common/spherical_harmonics.F:1465:25: 1465 | END FUNCTION dlegendre @@ -2653,40 +2722,52 @@ 1336 | FUNCTION dlegendre(x, l, m) RESULT(dplm) | ^ note: 'dplm' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'transport_env_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/transport_env_types.F transport_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_wrapper.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' libint_wrapper.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'wannier_states_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hartree_local_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'sockets_interface.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'string_table.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mscfg_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' transport_env_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fparser.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mm_mapping_library.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/common/mathlib.F:1403:3: + + 1403 | ELEMENTAL IMPURE FUNCTION expint(n, x) + | ^ +Warning: '__result_expint' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_min_heap.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mscfg_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'spglib_f08.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_wrapper.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' libint_wrapper.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hartree_local_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mol_force.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mol_force.F mol_force.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'simpar_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'linear_systems.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'beta_gamma_psi.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_functionals_utilities.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_contraction.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_hash_table_functions.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:1022:23: - - 1022 | vals(ipar) = xval - | ^ -Warning: 'xval' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:988:65: - - 988 | hh, xval - | ^~~~ -note: 'xval' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mol_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mol_force.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'construct_shg.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_int/construct_shg.F construct_shg.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_contraction_sphi.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eeq_data.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' transport_env_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_alloc_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_fermi_contact.mod' due to: target does not exist @@ -2697,83 +2778,48 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_buffer_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1829:23: - - 1829 | qbeg = sg + cf - | ^ -Warning: 'sg' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1669:26: - - 1669 | reduc, sg, sgk, shs, ss, sth, temp, tempa, tempb - | ^~ -note: 'sg' was declared here -/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1828:30: - - 1828 | cf = half*(shs - dhd) - | ^ -Warning: 'shs' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1669:35: - - 1669 | reduc, sg, sgk, shs, ss, sth, temp, tempa, tempb - | ^~~ -note: 'shs' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mol_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mol_force.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_hash_table_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_hash_table_types.F qs_fb_hash_table_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_exp_gw.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_rpa.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hdf5_wrapper.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/construct_shg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' construct_shg.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gaussian_data.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_hash_table_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/construct_shg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' construct_shg.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mdctrl_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_ener_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_integr_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mdctrl_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'farming_types.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:11:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_hash_table_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_integr_utils.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_stati.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_tree_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_move_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'callgraph.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'list_callstackentry.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/hfxbase/hfx_compression_core_methods.F:67:4: +/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1982:52: - 67 | SUBROUTINE ints2ints(Ndata, packed_data, full_data) - | ^~~~~~~~~~~~~~~~~~~~ -Warning: 'ints2ints' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'list_routinestat.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'routine_map.mod' due to: target does not exist + 1982 | IF (jl > 1) w(i) = w(i) + tempb*zmat(i, jl) + | ^ +Warning: 'tempb' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1944:74: + + 1944 | temp, tempa, tempb + | ^~~~~ +note: 'tempb' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_iter_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_files.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'list_routinereport.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp_perf_env.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'offload_api.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_array_sort.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_iter_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/common/mathlib.F:1403:3: - - 1403 | ELEMENTAL IMPURE FUNCTION expint(n, x) - | ^ -Warning: '__result_expint' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lebedev.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_result_types.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/qs_fb_hash_table_types.F:323:4: 323 | SUBROUTINE fb_hash_table_remove(hash_table, key) @@ -2784,31 +2830,52 @@ 359 | SUBROUTINE fb_hash_table_status(hash_table, nelements, nmax, prime) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'fb_hash_table_status' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'callgraph.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'list_callstackentry.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'list_routinestat.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'routine_map.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'list_routinereport.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'offload_api.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_array_sort.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lebedev.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'structure_factor_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'print_messages.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_result_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_allocate_wrap.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'print_messages.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a offload_api.o offload_buffer.o offload_library.o +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_index.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_index.F dbt_index.F90 +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fftw3_lib.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/fft/fftw3_lib.F fftw3_lib.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kahan_sum.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_fpga.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_fpga.F pw_fpga.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a grid_cpu_prepare_pab.o grid_cpu_task_list.o grid_cpu_integrate.o grid_cpu_collocate.o /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_status_types.mod' due to: target does not exist true -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridcpu.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ao_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ao_util.F ao_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_index.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_index.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftw3_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fftw3_lib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_fpga.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_fpga.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gamma.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lazy.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'splines.mod' due to: target does not exist -true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_scaling_function.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_scaling_function.F ps_wavelet_scaling_function.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'libint_wrapper.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hartree_local_types.mod' due to: target does not exist @@ -2817,75 +2884,83 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/local_gemm_api.F local_gemm_api.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'transport_env_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fparser.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_contraction.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fermi_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fermi_utils.F fermi_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_geev.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 's_contract_shg.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_int/s_contract_shg.F s_contract_shg.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'timings_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/timings_types.F timings_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ao_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ao_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_hash_table_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_scaling_function.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_scaling_function.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'wannier90.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'message_passing.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.F message_passing.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"local_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' local_gemm_api.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'timings_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/timings_types.F timings_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/util.F util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fermi_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fermi_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'structure_factors.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/structure_factors.F structure_factors.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftw3_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fftw3_lib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_fpga.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_fpga.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ao_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ao_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"local_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' local_gemm_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/s_contract_shg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' s_contract_shg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_index.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_index.F dbt_index.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factors.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' structure_factors.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_scaling_function.F:92:4: + + 92 | SUBROUTINE wavelet_function(itype, nd, a, x) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'wavelet_function' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_scaling_function.F:196:4: + + 196 | SUBROUTINE for_trans(nd, nt, x, y, m, cgt, cht) + | ^~~~~~~~~~~~~~~~~~~~ +Warning: 'for_trans' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_scaling_function.F:296:4: + + 296 | SUBROUTINE ftest(m, ch, cg, cgt, cht) + | ^~~~~~~~~~~~~~~~ +Warning: 'ftest' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_coulomb.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F ai_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/message_passing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/mpiwrap/' message_passing.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_os_rr.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_os_rr.F ai_os_rr.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_eri_debug.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_eri_debug.F ai_eri_debug.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_derivatives.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_verfc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_verfc.F ai_verfc.F90 /build/reproducible-path/cp2k-2025.1/src/pw/fft/fftw3_lib.F:786:58: 786 | plan%fftw_plan = fftw_plan_dft_3d(n3, n2, n1, zin, zin, fft_direction, fftw_plan_type) | 1 Warning: Same actual argument associated with INTENT(OUT) argument 'in' and INTENT(OUT) argument 'out' at (1) -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_scaling_function.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_scaling_function.F ps_wavelet_scaling_function.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_exp_k53.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_verfc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_verfc.F ai_verfc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_exp_k15.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/pw/fft/fftw3_lib.F:99:4: +/build/reproducible-path/cp2k-2025.1/src/aobasis/ao_util.F:131:49: - 99 | SUBROUTINE dummy_routine_to_call_mark_used() - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'dummy_routine_to_call_mark_used' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mscfg_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'd3_poly.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_os_rr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_os_rr.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'libgrpp_integrals.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/libgrpp_integrals.F libgrpp_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_eri_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_eri_debug.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_hash_table_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_rpa.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_index.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_index.F90 + 131 | r = MAX(SQRT(0.5_dp*REAL(l, dp)/a), radius) + | ^ +Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/aobasis/ao_util.F:107:61: + + 107 | REAL(KIND=dp) :: a, d, dr, eps, r, rd, t + | ^ +note: 'a' was declared here +/build/reproducible-path/cp2k-2025.1/src/aobasis/ao_util.F:140:10: + + 140 | IF (g(1) .LT. t) RETURN ! early exit + | ^ +Warning: 't' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/aobasis/ao_util.F:107:83: + + 107 | REAL(KIND=dp) :: a, d, dr, eps, r, rd, t + | ^ +note: 't' was declared here /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap3.F:1040:81: 1040 | sabdc(na + i, nb + j, ndc + l, k) = sdc(i, j, l, k) | ^ Warning: 'sdc.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_matrix_data_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_matrix_data_types.F qs_fb_matrix_data_types.F90 /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap3.F:135:66: 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc @@ -2961,6 +3036,21 @@ 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc | ^~~ note: 'sdc.offset' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/s_contract_shg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' s_contract_shg.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/structure_factors.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' structure_factors.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_os_rr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_os_rr.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/fft/fftw3_lib.F:99:4: + + 99 | SUBROUTINE dummy_routine_to_call_mark_used() + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'dummy_routine_to_call_mark_used' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_matrix_data_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_matrix_data_types.F qs_fb_matrix_data_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_eri_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_eri_debug.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_verfc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_verfc.F90 /build/reproducible-path/cp2k-2025.1/src/pw/fft/fftw3_lib.F:1249:99: 1249 | IF (scale /= 1.0_dp) CALL zdscal(plan%n*num_rows, scale, zout(scal_offset:scal_offset), 1) @@ -2976,66 +3066,22 @@ 1203 | scal_offset | ^~~~~~~~~~~ Warning: 'scal_offset' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_coulomb.F90 -/build/reproducible-path/cp2k-2025.1/src/aobasis/ao_util.F:131:49: - - 131 | r = MAX(SQRT(0.5_dp*REAL(l, dp)/a), radius) - | ^ -Warning: 'a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/aobasis/ao_util.F:107:61: - - 107 | REAL(KIND=dp) :: a, d, dr, eps, r, rd, t - | ^ -note: 'a' was declared here -/build/reproducible-path/cp2k-2025.1/src/aobasis/ao_util.F:140:10: - - 140 | IF (g(1) .LT. t) RETURN ! early exit - | ^ -Warning: 't' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/aobasis/ao_util.F:107:83: - - 107 | REAL(KIND=dp) :: a, d, dr, eps, r, rd, t - | ^ -note: 't' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_scaling_function.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_scaling_function.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_verfc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_verfc.F90 -/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1982:52: - - 1982 | IF (jl > 1) w(i) = w(i) + tempb*zmat(i, jl) - | ^ -Warning: 'tempb' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/powell.F:1944:74: - - 1944 | temp, tempa, tempb - | ^~~~~ -note: 'tempb' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_matrix_data_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_matrix_data_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_overlap_aabb.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'spherical_harmonics.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libgrpp_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' libgrpp_integrals.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'timings_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_fpga.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/message_passing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/mpiwrap/' message_passing.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_matrix_data_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_matrix_data_types.F90 /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_eri_debug.F:56:4: 56 | SUBROUTINE init_os(ya, yb, yc, yd, rA, rB, rC, rD) | ^~~~~~~~~~~~~~~~~~ Warning: 'init_os' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_scaling_function.F:92:4: - - 92 | SUBROUTINE wavelet_function(itype, nd, a, x) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'wavelet_function' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_scaling_function.F:196:4: - - 196 | SUBROUTINE for_trans(nd, nt, x, y, m, cgt, cht) - | ^~~~~~~~~~~~~~~~~~~~ -Warning: 'for_trans' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_scaling_function.F:296:4: - - 296 | SUBROUTINE ftest(m, ch, cg, cgt, cht) - | ^~~~~~~~~~~~~~~~ -Warning: 'ftest' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'spherical_harmonics.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_derivatives.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_scaling_function.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mscfg_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_fb_matrix_data_types.F:137:4: @@ -3047,68 +3093,174 @@ 299 | SUBROUTINE fb_matrix_data_status(matrix_data, nmax, nblks, nencode, blk_sizes) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'fb_matrix_data_status' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_fpga.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'd3_poly.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'libgrpp_integrals.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/libgrpp_integrals.F libgrpp_integrals.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_overlap_aabb.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'memory_utilities.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ao_util.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pair_potential_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pair_potential_types.F pair_potential_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libgrpp_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' libgrpp_integrals.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_grid_atom.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_grid_atom.F qs_grid_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'local_gemm_api.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_geev.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mol_force.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'wannier90.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_angmom.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'memory_utilities_unittest.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/memory_utilities_unittest.F memory_utilities_unittest.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'timings_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list_timerenv.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list_timerenv.F list_timerenv.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_fft3d.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'libgrpp_integrals.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_grid_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_grid_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' memory_utilities_unittest.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_timerenv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_timerenv.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'structure_factors.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_matrix_data_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:02 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list_timerenv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list_timerenv.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fftw3_lib.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_oneelectron.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_scaling_function.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'libgrpp_integrals.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'structure_factors.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_overlap_ppl.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap_ppl.F ai_overlap_ppl.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mltfftsg_tools.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fftsg_lib.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/fft/fftsg_lib.F fftsg_lib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_ppl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap_ppl.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'util.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_global.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_global.F dbt_tas_global.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_util.F dbt_tas_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fftw3_lib.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftsg_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fftsg_lib.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_neighbor_list_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F qs_neighbor_list_types.F90 +/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F:1839:75: + + 1839 | fcz*v(1, 1, cocz, n + 1) + | ^ +Warning: 'rbp[2]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F:824:66: + + 824 | REAL(KIND=dp), DIMENSION(3) :: rap, rbp, rcp, rcw, rpw + | ^~~ +note: 'rbp[2]' was declared here +/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F:1833:75: + + 1833 | fcx*v(1, 1, cocx, n + 1) + | ^ +Warning: 'rbp[0]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F:824:66: + + 824 | REAL(KIND=dp), DIMENSION(3) :: rap, rbp, rcp, rcw, rpw + | ^~~ +note: 'rbp[0]' was declared here +/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F:1836:75: + + 1836 | fcy*v(1, 1, cocy, n + 1) + | ^ +Warning: 'rbp[1]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F:824:66: + + 824 | REAL(KIND=dp), DIMENSION(3) :: rap, rbp, rcp, rcw, rpw + | ^~~ +note: 'rbp[1]' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_derivative_desc.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_derivative_desc.F xc_derivative_desc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_neighbor_list_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'graphcon.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/graphcon.F graphcon.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'memory_utilities.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fermi_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'list_timerenv.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_global.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_global.F dbt_tas_global.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_index.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pair_potential_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pair_potential_types.F pair_potential_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_grid_atom.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_grid_atom.F qs_grid_atom.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_contraction_sphi.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_util.F dbt_tas_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_os_rr.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_global.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_global.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'memory_utilities_unittest.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/memory_utilities_unittest.F memory_utilities_unittest.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list.F list.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_neighbor_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_desc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivative_desc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"graphcon.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' graphcon.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_grid_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_grid_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/memory_utilities_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' memory_utilities_unittest.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_util.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_array_list_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_array_list_methods.F dbt_array_list_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_desc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivative_desc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_operator_ra2m.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_operator_ra2m.F ai_operator_ra2m.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_spin_orbit.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_spin_orbit.F ai_spin_orbit.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"graphcon.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' graphcon.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_elec_field.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_elec_field.F ai_elec_field.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_global.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_global.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_kinetic.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_kinetic.F ai_kinetic.F90 +/build/reproducible-path/cp2k-2025.1/src/common/mathlib.F:141:23: + + 141 | END FUNCTION pswitch + | ^ +Warning: 'fx' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/mathlib.F:98:46: + + 98 | FUNCTION pswitch(x, a, b, order) RESULT(fx) + | ^ +note: 'fx' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fftsg_lib.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.F:4266:7: + + 4266 | SUBROUTINE mp_type_free_v(type_descriptors) + | ^~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'mp_type_free_v' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.fypp:1826:4: + + 1826 | SUBROUTINE mp_prod_${nametype1}$ (msg, comm) + | ^~~~~~~~~~~~~~~~~~~~ +Warning: 'mp_prod_i' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.fypp:2364:4: + + 2364 | SUBROUTINE mp_gatherv_${nametype1}$m2(sendbuf, recvbuf, recvcounts, displs, root, comm) + | ^~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'mp_gatherv_im2' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.fypp:2413:4: + + 2413 | SUBROUTINE mp_gatherv_${nametype1}$m2_src(sendbuf, recvbuf, recvcounts, displs, comm) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'mp_gatherv_im2_src' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.fypp:4300:3: + + 4300 | FUNCTION mp_type_indexed_make_${nametype1}$ (count, lengths, displs) & + | ^ +Warning: 'mp_type_indexed_make_i' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.fypp:1826:4: + + 1826 | SUBROUTINE mp_prod_${nametype1}$ (msg, comm) + | ^~~~~~~~~~~~~~~~~~~~ +Warning: 'mp_prod_l' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.fypp:4300:3: + + 4300 | FUNCTION mp_type_indexed_make_${nametype1}$ (count, lengths, displs) & + | ^ +Warning: 'mp_type_indexed_make_l' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fft_lib.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/fft/fft_lib.F fft_lib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_array_list_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_array_list_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_spin_orbit.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_elec_field.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_elec_field.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operator_ra2m.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_operator_ra2m.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_kinetic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_kinetic.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'list_timerenv.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_derivative_desc.F:97:26: 97 | END FUNCTION desc_to_id @@ -3119,18 +3271,22 @@ 64 | FUNCTION desc_to_id(desc) RESULT(id) | ^ note: 'id' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_derivative_desc.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'list.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/list.F list.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_overlap3.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'list.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_overlap_ppl.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'timings.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/timings.F timings.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kahan_sum.mod' due to: kahan_sum.o +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mathlib.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fermi_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fermi_utils.F fermi_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fermi_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fermi_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/list.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' list.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'orbital_transformation_matrices.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_transformation_matrices.F orbital_transformation_matrices.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fft_lib.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molsym.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/molsym.F molsym.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nequip_unittest.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nequip_unittest.F nequip_unittest.F90 /build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:331:28: 331 | iterator%ilist = ilist @@ -3181,182 +3337,64 @@ 172 | INTEGER :: iatom, il, ilist, mthread, nlist | ^~~~~ note: 'iatom' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_index.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_util.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_array_list_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_array_list_methods.F dbt_array_list_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'timings.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_transformation_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' orbital_transformation_matrices.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molsym.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molsym.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nequip_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nequip_unittest.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_derivative_desc.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_neighbor_list_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_verfc.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gcp_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gcp_types.F qs_gcp_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_array_list_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_array_list_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_nl_hash_table_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_nl_hash_table_types.F qs_nl_hash_table_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_oneelectron.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'construct_shg.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_overlap_ppl.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap_ppl.F ai_overlap_ppl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gcp_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_os_rr.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'powell.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nl_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_nl_hash_table_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_operator_ra2m.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_operator_ra2m.F ai_operator_ra2m.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_kinetic.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_kinetic.F ai_kinetic.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_elec_field.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_elec_field.F ai_elec_field.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_spin_orbit.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_spin_orbit.F ai_spin_orbit.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gcp_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optimize_basis_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optimize_basis_types.F optimize_basis_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_basis_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_neighbor_list_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap_ppl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap_ppl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operator_ra2m.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_operator_ra2m.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_kinetic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_kinetic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_spin_orbit.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_elec_field.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_elec_field.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_global.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fft_lib.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.F:4266:7: - - 4266 | SUBROUTINE mp_type_free_v(type_descriptors) - | ^~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'mp_type_free_v' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.fypp:1826:4: - - 1826 | SUBROUTINE mp_prod_${nametype1}$ (msg, comm) - | ^~~~~~~~~~~~~~~~~~~~ -Warning: 'mp_prod_i' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.fypp:2364:4: - - 2364 | SUBROUTINE mp_gatherv_${nametype1}$m2(sendbuf, recvbuf, recvcounts, displs, root, comm) - | ^~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'mp_gatherv_im2' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.fypp:2413:4: - - 2413 | SUBROUTINE mp_gatherv_${nametype1}$m2_src(sendbuf, recvbuf, recvcounts, displs, comm) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'mp_gatherv_im2_src' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.fypp:4300:3: - - 4300 | FUNCTION mp_type_indexed_make_${nametype1}$ (count, lengths, displs) & - | ^ -Warning: 'mp_type_indexed_make_i' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.fypp:1826:4: +/build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_transformation_matrices.F:515:22: - 1826 | SUBROUTINE mp_prod_${nametype1}$ (msg, comm) - | ^~~~~~~~~~~~~~~~~~~~ -Warning: 'mp_prod_l' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/mpiwrap/message_passing.fypp:4300:3: + 515 | END FUNCTION p_func + | ^ +Warning: 'p' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_transformation_matrices.F:499:52: - 4300 | FUNCTION mp_type_indexed_make_${nametype1}$ (count, lengths, displs) & - | ^ -Warning: 'mp_type_indexed_make_l' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mol_force.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_nl_hash_table_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fermi_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_angmom.mod' due to: target does not exist + 499 | FUNCTION p_func(i, l, mu, m, r1, r, lr) RESULT(p) + | ^ +note: 'p' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a fft_kinds.o fftsg_lib.o mltfftsg_tools.o fftw3_lib.o fft_plan.o fft_lib.o +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gcp_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gcp_types.F qs_gcp_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_nl_hash_table_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_nl_hash_table_types.F qs_nl_hash_table_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'list.mod' due to: target does not exist true +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'timings.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/timings.F timings.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_spin_orbit.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gcp_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nl_hash_table_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_nl_hash_table_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_kinetic.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_exp_k15.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_operator_ra2m.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_overlap_ppl.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F:1839:75: - - 1839 | fcz*v(1, 1, cocz, n + 1) - | ^ -Warning: 'rbp[2]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F:824:66: - - 824 | REAL(KIND=dp), DIMENSION(3) :: rap, rbp, rcp, rcw, rpw - | ^~~ -note: 'rbp[2]' was declared here -/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F:1833:75: - - 1833 | fcx*v(1, 1, cocx, n + 1) - | ^ -Warning: 'rbp[0]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F:824:66: - - 824 | REAL(KIND=dp), DIMENSION(3) :: rap, rbp, rcp, rcw, rpw - | ^~~ -note: 'rbp[0]' was declared here -/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F:1836:75: - - 1836 | fcy*v(1, 1, cocy, n + 1) - | ^ -Warning: 'rbp[1]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb.F:824:66: - - 824 | REAL(KIND=dp), DIMENSION(3) :: rap, rbp, rcp, rcw, rpw - | ^~~ -note: 'rbp[1]' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'graphcon.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_array_list_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_grid_atom.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'construct_shg.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_elec_field.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_overlap3.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/common/mathlib.F:141:23: - - 141 | END FUNCTION pswitch - | ^ -Warning: 'fx' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/mathlib.F:98:46: - - 98 | FUNCTION pswitch(x, a, b, order) RESULT(fx) - | ^ -note: 'fx' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_verfc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mathlib.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'orbital_transformation_matrices.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_transformation_matrices.F orbital_transformation_matrices.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molsym.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/molsym.F molsym.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nequip_unittest.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nequip_unittest.F nequip_unittest.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/orbital_transformation_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' orbital_transformation_matrices.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molsym.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molsym.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mltfftsg_tools.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_global.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nequip_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nequip_unittest.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fftsg_lib.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/fft/fftsg_lib.F fftsg_lib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fftsg_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fftsg_lib.F90 -/build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_transformation_matrices.F:515:22: - - 515 | END FUNCTION p_func - | ^ -Warning: 'p' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_transformation_matrices.F:499:52: - - 499 | FUNCTION p_func(i, l, mu, m, r1, r, lr) RESULT(p) - | ^ -note: 'p' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fftsg_lib.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'graphcon.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fft_lib.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/fft/fft_lib.F fft_lib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft/fft_lib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/fft/' fft_lib.F90 /build/reproducible-path/cp2k-2025.1/src/aobasis/orbital_transformation_matrices.F:383:52: 383 | orbrotmat(2)%mat(1:5, 1:5) = r2(-2:2, -2:2) @@ -3457,42 +3495,31 @@ 419 | FUNCTION u_func(l, ma, mb) RESULT(u) | ^ note: 'u' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fft_lib.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_grid_atom.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a fft_plan.o mltfftsg_tools.o fftw3_lib.o fftsg_lib.o fft_kinds.o fft_lib.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pair_potential_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_array_list_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_field_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_field_types.F force_field_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pair_potential_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pair_potential_util.F pair_potential_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 's_contract_shg.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gcp_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_nl_hash_table_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'timings.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_field_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_field_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'orbital_transformation_matrices.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/pair_potential_util.F:164:31: - - 164 | value = value + lvalue - | ^ -Warning: 'pp' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pair_potential_util.F:52:96: - - 52 | REAL(KIND=dp) :: bd6, bd8, dampsum, f6, f8, lvalue, pp, & - | ^~ -note: 'pp' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_overlap.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap.F ai_overlap.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_field_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pair_potential_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pair_potential_util.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 's_contract_shg.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:07 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_overlap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_overlap.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_field_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_field_types.F force_field_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pair_potential_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pair_potential_util.F pair_potential_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_field_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_field_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential_util.F90 /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_overlap.F:1364:4: 1364 | SUBROUTINE overlap_aaab(la1_max, la1_min, npgfa1, rpgfa1, zeta1, & @@ -3508,30 +3535,39 @@ 1776 | SUBROUTINE overlap_abbb(la_max, la_min, npgfa, rpgfa, zeta, & | ^~~~~~~~~~~~~~~~~~~~~~~ Warning: 'overlap_abbb' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'powell.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optimize_basis_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optimize_basis_types.F optimize_basis_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:07 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_basis_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_basis_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molsym.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_coulomb.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_coulomb_test.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_coulomb_test.F ai_coulomb_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:09 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_coulomb_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_coulomb_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_coulomb_test.F90 +/build/reproducible-path/cp2k-2025.1/src/pair_potential_util.F:164:31: + + 164 | value = value + lvalue + | ^ +Warning: 'pp' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pair_potential_util.F:52:96: + + 52 | REAL(KIND=dp) :: bd6, bd8, dampsum, f6, f8, lvalue, pp, & + | ^~ +note: 'pp' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_basis_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pair_potential_util.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_coulomb_test.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_field_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molsym.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_overlap.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_moments.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F ai_moments.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'debug_os_integrals.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/debug_os_integrals.F debug_os_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_moments.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_moments.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"debug_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' debug_os_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_moments.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_moments.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"debug_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' debug_os_integrals.F90 /build/reproducible-path/cp2k-2025.1/src/debug_os_integrals.F:46:4: 46 | SUBROUTINE overlap_ab_test_simple() @@ -3547,8 +3583,22 @@ 386 | SUBROUTINE overlap_aabb_test_simple() | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'overlap_aabb_test_simple' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'string_utilities.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'parallel_rng_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/parallel_rng_types.F parallel_rng_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'periodic_table.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/periodic_table.F periodic_table.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp2k_info.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp2k_info.F cp2k_info.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpsym.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpsym.F kpsym.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'debug_os_integrals.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' parallel_rng_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' periodic_table.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp2k_info.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpsym.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpsym.F90 /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:1066:46: 1066 | s(1, 1, l) = rpc(i)*s(1, 1, l1) @@ -3569,25 +3619,11 @@ 996 | jpgf, k, l, l1, l2, la, la_start, lb, & | ^~ note: 'l1' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'string_utilities.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'parallel_rng_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/parallel_rng_types.F parallel_rng_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'periodic_table.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/periodic_table.F periodic_table.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp2k_info.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp2k_info.F cp2k_info.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpsym.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpsym.F kpsym.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/periodic_table.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' periodic_table.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' parallel_rng_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_info.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp2k_info.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpsym.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpsym.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp2k_info.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'header.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/header.F header.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"header.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' header.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"header.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' header.F90 /build/reproducible-path/cp2k-2025.1/src/common/parallel_rng_types.F:845:25: 845 | END FUNCTION next_real @@ -3598,13 +3634,6 @@ 804 | FUNCTION next_real(self, variance) RESULT(u) | ^ note: 'u' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'header.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'parallel_rng_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/csvr_system_utils.F csvr_system_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' csvr_system_utils.F90 /build/reproducible-path/cp2k-2025.1/src/kpsym.F:1860:91: 1860 | origin(imissing2)*r(ionly, imissing2, ib(ir))) @@ -3615,102 +3644,280 @@ 1766 | INTEGER :: i, i1, ierror, igood(3), il, imissing2, & | ^~~~~~~~~ note: 'imissing2' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'header.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'periodic_table.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'parallel_rng_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'graph_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph_methods.F graph_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:16 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/' graph_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/csvr_system_utils.F csvr_system_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' csvr_system_utils.F90 /build/reproducible-path/cp2k-2025.1/src/kpsym.F:2263:89: 2263 | iremov, iwvk, j, jplace, k, n, nplane | ^ Warning: 'n' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_moments.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'periodic_table.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'graph_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph_methods.F graph_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_utils.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/' graph_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpsym.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_moments.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'graph_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a graph_methods.o graph_utils.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'graph.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F graph.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/' graph.F90 +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:658:28: + + 658 | out3 = out2//"." + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/81) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:660:28: + + 660 | out3 = out1//"." + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/81) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:412:12: + + 412 | i_map = 0 + | ^ +Warning: 'i_map.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:47:48: + + 47 | INTEGER, POINTER :: i_map(:), idw(:), ind(:), & + | ^~~~~~~~ +note: 'i_map.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:570:50: + + 570 | dp_grid = (xf - x0)/REAL(ngrid - 1, KIND=dp) + | ^ +Warning: 'xf.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:60:77: + + 60 | gauss(:, :), ss0(:, :), tmpr(:), ww(:), x0(:), xf(:) + | ^~~~~ +note: 'xf.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:520:61: + + 520 | delta_s(1:ndim, i) = delta_s_glob*delta_s(1:ndim, i) + | ^ +Warning: 'delta_s.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:59:30: + + 59 | REAL(KIND=dp), POINTER :: delta_s(:, :), dp_cut(:), dp_grid(:), fes(:), & + | ^~~~~~~~~~~~~ +note: 'delta_s.offset' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:596:65: + + 596 | dp_cut = SQRT(LOG(ABS(ww(i))/eps_cut))*2.0_dp*delta_s(:, i) + | ^ +Warning: 'delta_s.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:59:30: + + 59 | REAL(KIND=dp), POINTER :: delta_s(:, :), dp_cut(:), dp_grid(:), fes(:), & + | ^~~~~~~~~~~~~ +note: 'delta_s.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:518:80: + + 518 | READ (unit_nr, *) dum, (ss0(i_map(id), i), id=1, ndim), (delta_s(id, i), id=1, ndim) + | ^ +Warning: 'delta_s.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:59:30: + + 59 | REAL(KIND=dp), POINTER :: delta_s(:, :), dp_cut(:), dp_grid(:), fes(:), & + | ^~~~~~~~~~~~~ +note: 'delta_s.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:518:50: + + 518 | READ (unit_nr, *) dum, (ss0(i_map(id), i), id=1, ndim), (delta_s(id, i), id=1, ndim) + | ^ +Warning: 'ss0.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:60:43: + + 60 | gauss(:, :), ss0(:, :), tmpr(:), ww(:), x0(:), xf(:) + | ^~~~~~~~~ +note: 'ss0.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:623:49: + + 623 | ind = INT((ss0(:, it) - x0)/dp_grid) + 1 + | ^ +Warning: 'ss0.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:60:43: + + 60 | gauss(:, :), ss0(:, :), tmpr(:), ww(:), x0(:), xf(:) + | ^~~~~~~~~ +note: 'ss0.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:518:50: + + 518 | READ (unit_nr, *) dum, (ss0(i_map(id), i), id=1, ndim), (delta_s(id, i), id=1, ndim) + | ^ +Warning: 'ss0.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:60:43: + + 60 | gauss(:, :), ss0(:, :), tmpr(:), ww(:), x0(:), xf(:) + | ^~~~~~~~~ +note: 'ss0.offset' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:527:41: + + 527 | IF (l_orac) ww = ww*10000._dp/4.187_dp + | ^ +Warning: 'ww.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:60:63: + + 60 | gauss(:, :), ss0(:, :), tmpr(:), ww(:), x0(:), xf(:) + | ^~~~~ +note: 'ww.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:594:13: + + 594 | nn_max = 0 + | ^ +Warning: 'nn_max.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:49:68: + + 49 | ngrid(:), nn(:, :), nn_max(:), & + | ^~~~~~~~~ +note: 'nn_max.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:601:29: + + 601 | nn_max = MAXVAL(nn, DIM=2) + | ^ +Warning: 'nn.dim[1].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:49:58: + + 49 | ngrid(:), nn(:, :), nn_max(:), & + | ^~~~~~~~ +note: 'nn.dim[1].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:597:36: + + 597 | nn(:, i) = INT(dp_cut/dp_grid) + | ^ +Warning: 'nn.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:49:58: + + 49 | ngrid(:), nn(:, :), nn_max(:), & + | ^~~~~~~~ +note: 'nn.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:601:29: + + 601 | nn_max = MAXVAL(nn, DIM=2) + | ^ +Warning: 'nn.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:49:58: + + 49 | ngrid(:), nn(:, :), nn_max(:), & + | ^~~~~~~~ +note: 'nn.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:597:36: + + 597 | nn(:, i) = INT(dp_cut/dp_grid) + | ^ +Warning: 'nn.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:49:58: + + 49 | ngrid(:), nn(:, :), nn_max(:), & + | ^~~~~~~~ +note: 'nn.offset' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:597:36: + + 597 | nn(:, i) = INT(dp_cut/dp_grid) + | ^ +Warning: 'dp_cut.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:59:45: + + 59 | REAL(KIND=dp), POINTER :: delta_s(:, :), dp_cut(:), dp_grid(:), fes(:), & + | ^~~~~~~~~ +note: 'dp_cut.dim[0].ubound' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'message_passing.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'timings_report.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/timings_report.F timings_report.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_log_handling.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_log_handling.F cp_log_handling.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_result_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_result_methods.F cp_result_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 't_sh_p_s_c.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/t_sh_p_s_c.F t_sh_p_s_c.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'reference_manager.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/reference_manager.F reference_manager.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'timings_report.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/timings_report.F timings_report.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_result_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_result_methods.F cp_result_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 't_c_g0.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/t_c_g0.F t_c_g0.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp_perf_test.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mpiwrap/mp_perf_test.F mp_perf_test.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'parallel_rng_types_unittest.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/parallel_rng_types_unittest.F parallel_rng_types_unittest.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_log_handling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_log_handling.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbm_api.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_api.F dbm_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_report.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings_report.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_log_handling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_log_handling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_sh_p_s_c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' t_sh_p_s_c.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/reference_manager.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' reference_manager.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_grid_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_grid_types.F pw_grid_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/timings_report.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' timings_report.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_parser_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_types.F cp_parser_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_result_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_result_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_result_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_blacs_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_blacs_types.F cp_blacs_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_base.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_base.F ps_wavelet_base.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_sh_p_s_c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' t_sh_p_s_c.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/reference_manager.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' reference_manager.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_c_g0.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' t_c_g0.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/mp_perf_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/mpiwrap/' mp_perf_test.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'domain_submatrix_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/domain_submatrix_types.F domain_submatrix_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' parallel_rng_types_unittest.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pexsi_interface.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pexsi_interface.F pexsi_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mpiwrap/mp_perf_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/mpiwrap/' mp_perf_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/t_c_g0.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' t_c_g0.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'arnoldi_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_types.F arnoldi_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbm/' dbm_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_grid_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbcsr_vector.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbcsrx/dbcsr_vector.F dbcsr_vector.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_grid_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/parallel_rng_types_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' parallel_rng_types_unittest.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'submatrix_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/submatrix_types.F submatrix_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_blacs_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_com_tasks_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_com_tasks_types.F qs_fb_com_tasks_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbm/' dbm_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'group_dist_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/group_dist_types.F group_dist_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_base.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_base.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dgemm_counter_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dgemm_counter_types.F dgemm_counter_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_blacs_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_base.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_base.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' domain_submatrix_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pexsi_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsrx/dbcsr_vector.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbcsrx/' dbcsr_vector.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' submatrix_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_com_tasks_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_com_tasks_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"group_dist_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' group_dist_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dgemm_counter_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dgemm_counter_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' domain_submatrix_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pexsi_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dgemm_counter_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dgemm_counter_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbcsrx/dbcsr_vector.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbcsrx/' dbcsr_vector.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' submatrix_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_com_tasks_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_com_tasks_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"group_dist_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' group_dist_types.F90 /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_api.F:1335:4: 1335 | SUBROUTINE dbcsr_distribution_new_wrapper(dist, mp_comm, row_dist_block, col_dist_block) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'dbcsr_distribution_new_wrapper' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_blacs_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pexsi_interface.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_grid_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'domain_submatrix_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_base.F:2106:4: - - 2106 | SUBROUTINE F_unfill_downcorn(md1, md3, lot, nfft, n3, zw, zf, scal, ehartreetmp) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'f_unfill_downcorn' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_blacs_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/dbcsrx/dbcsr_vector.F:670:7: @@ -3722,7 +3929,14 @@ 670 | SUBROUTINE dbcsr_matrixT_vector_mult_${nametype}$ (matrix, vec_in, vec_out, alpha, beta, work_row, work_col, skip_diag) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'dbcsr_matrixt_vector_mult_z' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_base.F:2106:4: + + 2106 | SUBROUTINE F_unfill_downcorn(md1, md3, lot, nfft, n3, zw, zf, scal, ehartreetmp) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'f_unfill_downcorn' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'timings_report.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dgemm_counter_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_fb_com_tasks_types.F:218:4: @@ -3744,59 +3958,49 @@ 305 | SUBROUTINE fb_com_tasks_init(com_tasks) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'fb_com_tasks_init' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_grid_types.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_log_handling.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dgemm_counter_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ls_matrix_exp.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ls_matrix_exp.F ls_matrix_exp.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cg_test.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cg_test.F cg_test.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_array_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_array_utils.F cp_array_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cg_test.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cg_test.F cg_test.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_error_handling.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_error_handling.F cp_error_handling.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_units.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/cp_units.F cp_units.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fft_tools.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/fft_tools.F fft_tools.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_types.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_enumeration_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/input_enumeration_types.F input_enumeration_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ls_matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ls_matrix_exp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_parser_ilist_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_ilist_methods.F cp_parser_ilist_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cg_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cg_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_array_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_parser_inpp_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_inpp_methods.F cp_parser_inpp_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cg_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cg_test.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minimax_exp.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minimax/minimax_exp.F minimax_exp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'splines_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/splines_methods.F splines_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_array_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_array_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'timings_report.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_error_handling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_error_handling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_inpp_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft_tools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' fft_tools.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'domain_submatrix_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/domain_submatrix_methods.F domain_submatrix_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_ilist_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_lbfgs_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_lbfgs_types.F almo_scf_lbfgs_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_enumeration_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_enumeration_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_units.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_units.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_error_handling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_error_handling.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'group_dist_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/cp_units.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' cp_units.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ls_matrix_exp.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ls_matrix_exp.F ls_matrix_exp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_enumeration_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_enumeration_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbm_api.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_ilist_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_ilist_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbm_tests.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbm/dbm_tests.F dbm_tests.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' splines_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_inpp_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_inpp_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_types.F dbt_tas_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/fft_tools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' fft_tools.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minimax/minimax_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/minimax/' minimax_exp.F90 /build/reproducible-path/cp2k-2025.1/src/common/cp_array_utils.F:195:45: 195 | nRiga = cp_to_string(SIZE(array, 2)) @@ -3817,6 +4021,14 @@ 195 | nRiga = cp_to_string(SIZE(array, 2)) | 1 Warning: CHARACTER expression will be truncated in assignment (10/25) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_types.F dbt_tas_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"splines_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' splines_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' domain_submatrix_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'submatrix_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_lbfgs_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_lbfgs_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ls_matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ls_matrix_exp.F90 /build/reproducible-path/cp2k-2025.1/src/common/cp_result_methods.F:267:50: 267 | IF (PRESENT(n_entries)) n_entries = size_res @@ -3827,12 +4039,25 @@ 239 | INTEGER :: i, k, nlist, nrep, size_res, size_values | ^~~~~~~~ note: 'size_res' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"domain_submatrix_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' domain_submatrix_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_lbfgs_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_lbfgs_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_tests.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbm/' dbm_tests.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'group_dist_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbm/dbm_tests.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbm/' dbm_tests.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_contract_block.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/common/cp_units.F:439:31: + + 439 | desc = cp_unit_desc(unit) + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/input/cp_parser_inpp_methods.F:598:75: + + 598 | newline = input_line(1:pos1 - 3)//var_value//input_line(pos2 + 2:) + | ^ +Warning: '.var_value' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/input/cp_parser_inpp_methods.F:660:34: + + 660 | END FUNCTION inpp_find_variable + | ^ +note: '.var_value' was declared here /build/reproducible-path/cp2k-2025.1/src/common/cp_result_methods.F:194:50: 194 | IF (PRESENT(n_entries)) n_entries = size_res @@ -3843,271 +4068,92 @@ 166 | INTEGER :: i, k, nlist, nrep, size_res, size_values | ^~~~~~~~ note: 'size_res' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'reference_manager.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bibliography.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/bibliography.F bibliography.F90 -/build/reproducible-path/cp2k-2025.1/src/common/cp_units.F:439:31: - - 439 | desc = cp_unit_desc(unit) - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'submatrix_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_ilist_methods.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:22 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bibliography.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' bibliography.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'graph_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'reference_manager.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a graph_methods.o graph_utils.o /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_error_handling.mod' due to: target does not exist true -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.a /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cg_test.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_ilist_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bibliography.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/bibliography.F bibliography.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 't_c_g0.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'graph.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F graph.F90 -/build/reproducible-path/cp2k-2025.1/src/input/cp_parser_inpp_methods.F:598:75: - - 598 | newline = input_line(1:pos1 - 3)//var_value//input_line(pos2 + 2:) - | ^ -Warning: '.var_value' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/input/cp_parser_inpp_methods.F:660:34: - - 660 | END FUNCTION inpp_find_variable - | ^ -note: '.var_value' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_exp.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'libint_2c_3c.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/libint_2c_3c.F libint_2c_3c.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_result_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'splines_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/domain_submatrix_methods.F:770:4: - - 770 | SUBROUTINE trace_submatrices(A, B, trace) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'trace_submatrices' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:22 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadyn_tools/graph.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/' graph.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 't_sh_p_s_c.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:658:28: - - 658 | out3 = out2//"." - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/81) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:660:28: - - 660 | out3 = out1//"." - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/81) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ls_matrix_exp.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a" -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_types.mod' due to: target does not exist -true Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a minimax_exp_k53.o minimax_exp.o minimax_exp_k15.o minimax_rpa.o minimax_exp_gw.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a minimax_exp_gw.o minimax_exp_k15.o minimax_rpa.o minimax_exp_k53.o minimax_exp.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a +/build/reproducible-path/cp2k-2025.1/src/domain_submatrix_methods.F:770:4: + + 770 | SUBROUTINE trace_submatrices(A, B, trace) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'trace_submatrices' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_operators_r12.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_operators_r12.F ai_operators_r12.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_gaussian.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_gaussian.F eri_mme_gaussian.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/bibliography.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' bibliography.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_2c_3c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' libint_2c_3c.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_enumeration_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 't_c_g0.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minimax_exp.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'libint_2c_3c.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/libint_2c_3c.F libint_2c_3c.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_com_tasks_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_lbfgs_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_gaussian.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_gaussian.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operators_r12.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_operators_r12.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a dbm_tests.o dbm_api.o dbm_matrix.o dbm_mpi.o dbm_multiply_gpu.o dbm_multiply_cpu.o dbm_distribution.o dbm_multiply.o dbm_shard.o dbm_library.o dbm_mempool.o dbm_multiply_comm.o dbm_multiply_opencl.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_split.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_split.F dbt_tas_split.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbm_tests.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ai_operators_r12.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_operators_r12.F ai_operators_r12.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_gaussian.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_gaussian.F eri_mme_gaussian.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"libint_2c_3c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' libint_2c_3c.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_split.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_split.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/ai_operators_r12.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' ai_operators_r12.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_gaussian.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_gaussian.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_inpp_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp_perf_test.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_array_utils.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a" +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a mp_perf_env.o message_passing.o mp_perf_test.o -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:412:12: - - 412 | i_map = 0 - | ^ -Warning: 'i_map.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:47:48: - - 47 | INTEGER, POINTER :: i_map(:), idw(:), ind(:), & - | ^~~~~~~~ -note: 'i_map.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:570:50: - - 570 | dp_grid = (xf - x0)/REAL(ngrid - 1, KIND=dp) - | ^ -Warning: 'xf.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:60:77: - - 60 | gauss(:, :), ss0(:, :), tmpr(:), ww(:), x0(:), xf(:) - | ^~~~~ -note: 'xf.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:520:61: - - 520 | delta_s(1:ndim, i) = delta_s_glob*delta_s(1:ndim, i) - | ^ -Warning: 'delta_s.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:59:30: - - 59 | REAL(KIND=dp), POINTER :: delta_s(:, :), dp_cut(:), dp_grid(:), fes(:), & - | ^~~~~~~~~~~~~ -note: 'delta_s.offset' was declared here -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:596:65: - - 596 | dp_cut = SQRT(LOG(ABS(ww(i))/eps_cut))*2.0_dp*delta_s(:, i) - | ^ -Warning: 'delta_s.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:59:30: - - 59 | REAL(KIND=dp), POINTER :: delta_s(:, :), dp_cut(:), dp_grid(:), fes(:), & - | ^~~~~~~~~~~~~ -note: 'delta_s.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:518:80: - - 518 | READ (unit_nr, *) dum, (ss0(i_map(id), i), id=1, ndim), (delta_s(id, i), id=1, ndim) - | ^ -Warning: 'delta_s.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:59:30: - - 59 | REAL(KIND=dp), POINTER :: delta_s(:, :), dp_cut(:), dp_grid(:), fes(:), & - | ^~~~~~~~~~~~~ -note: 'delta_s.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:518:50: - - 518 | READ (unit_nr, *) dum, (ss0(i_map(id), i), id=1, ndim), (delta_s(id, i), id=1, ndim) - | ^ -Warning: 'ss0.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:60:43: - - 60 | gauss(:, :), ss0(:, :), tmpr(:), ww(:), x0(:), xf(:) - | ^~~~~~~~~ -note: 'ss0.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:623:49: - - 623 | ind = INT((ss0(:, it) - x0)/dp_grid) + 1 - | ^ -Warning: 'ss0.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:60:43: - - 60 | gauss(:, :), ss0(:, :), tmpr(:), ww(:), x0(:), xf(:) - | ^~~~~~~~~ -note: 'ss0.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:518:50: - - 518 | READ (unit_nr, *) dum, (ss0(i_map(id), i), id=1, ndim), (delta_s(id, i), id=1, ndim) - | ^ -Warning: 'ss0.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:60:43: - - 60 | gauss(:, :), ss0(:, :), tmpr(:), ww(:), x0(:), xf(:) - | ^~~~~~~~~ -note: 'ss0.offset' was declared here -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:527:41: - - 527 | IF (l_orac) ww = ww*10000._dp/4.187_dp - | ^ -Warning: 'ww.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:60:63: - - 60 | gauss(:, :), ss0(:, :), tmpr(:), ww(:), x0(:), xf(:) - | ^~~~~ -note: 'ww.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:594:13: - - 594 | nn_max = 0 - | ^ -Warning: 'nn_max.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:49:68: - - 49 | ngrid(:), nn(:, :), nn_max(:), & - | ^~~~~~~~~ -note: 'nn_max.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:601:29: - - 601 | nn_max = MAXVAL(nn, DIM=2) - | ^ -Warning: 'nn.dim[1].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:49:58: - - 49 | ngrid(:), nn(:, :), nn_max(:), & - | ^~~~~~~~ -note: 'nn.dim[1].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:597:36: - - 597 | nn(:, i) = INT(dp_cut/dp_grid) - | ^ -Warning: 'nn.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:49:58: - - 49 | ngrid(:), nn(:, :), nn_max(:), & - | ^~~~~~~~ -note: 'nn.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:601:29: - - 601 | nn_max = MAXVAL(nn, DIM=2) - | ^ -Warning: 'nn.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:49:58: - - 49 | ngrid(:), nn(:, :), nn_max(:), & - | ^~~~~~~~ -note: 'nn.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:597:36: - - 597 | nn(:, i) = INT(dp_cut/dp_grid) - | ^ -Warning: 'nn.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:49:58: - - 49 | ngrid(:), nn(:, :), nn_max(:), & - | ^~~~~~~~ -note: 'nn.offset' was declared here -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:597:36: - - 597 | nn(:, i) = INT(dp_cut/dp_grid) - | ^ -Warning: 'dp_cut.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadyn_tools/graph.F:59:45: - - 59 | REAL(KIND=dp), POINTER :: delta_s(:, :), dp_cut(:), dp_grid(:), fes(:), & - | ^~~~~~~~~ -note: 'dp_cut.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp_perf_test.mod' due to: target does not exist -true +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a message_passing.o mp_perf_test.o mp_perf_env.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmpiwrap.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_inpp_methods.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_split.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_split.F90 +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a dbm_api.o dbm_tests.o dbm_mpi.o dbm_multiply_opencl.o dbm_distribution.o dbm_library.o dbm_multiply_cpu.o dbm_matrix.o dbm_mempool.o dbm_shard.o dbm_multiply_comm.o dbm_multiply.o dbm_multiply_gpu.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_parser_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_methods.F cp_parser_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_array_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_blacs_env.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_blacs_env.F cp_blacs_env.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_contraction_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_com_tasks_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_lbfgs_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ls_matrix_exp.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'distribution_1d_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/common/distribution_1d_types.F distribution_1d_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_blacs_env.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_blacs_env.F cp_blacs_env.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_parser_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_parser_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_env.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_blacs_env.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/distribution_1d_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' distribution_1d_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_gaussian.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_lattice_summation.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_lattice_summation.F eri_mme_lattice_summation.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_units.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_val_types.o' due to: target does not exist @@ -4154,10 +4200,20 @@ 523 | INTEGER, DIMENSION(2) :: pcoord, pcoord_group | ^~~~~~~~~~~~ note: 'pcoord_group[1]' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"common/distribution_1d_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/common/' distribution_1d_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_val_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_val_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_blacs_env.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_blacs_env.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cell_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' cell_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_val_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_val_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cell_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' cell_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'distribution_1d_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/input/cp_parser_methods.F:1421:33: + + 1421 | object8 = object8*iz8 + | ^ +Warning: 'object8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/input/cp_parser_methods.F:1381:66: + + 1381 | INTEGER(KIND=int_8) :: iz8, object8 + | ^~~~~~~ +note: 'object8' was declared here /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_split.F:369:105: 369 | nsplit_opt = get_opt_nsplit(pdim_split, nsplit, split_pgrid=.TRUE., pdim_nonsplit=pdim_nonsplit) @@ -4168,38 +4224,34 @@ 341 | pdim_nonsplit, pdim_split | ^~~~~~~~~~ note: 'pdim_split' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_blacs_env.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_struct.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_struct.F cp_fm_struct.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'distribution_2d_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/distribution_2d_types.F distribution_2d_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'global_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/global_types.F global_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_types.F almo_scf_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ct_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ct_types.F ct_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_split.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_operators_r12.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_base.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_base.F dbt_tas_base.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bibliography.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/input/cp_parser_methods.F:1421:33: - - 1421 | object8 = object8*iz8 - | ^ -Warning: 'object8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/input/cp_parser_methods.F:1381:66: - - 1381 | INTEGER(KIND=int_8) :: iz8, object8 - | ^~~~~~~ -note: 'object8' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pexsi_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pexsi_types.F pexsi_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cryssym.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cryssym.F cryssym.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'submatrix_dissection.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/submatrix_dissection.F submatrix_dissection.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:24 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_base.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_base.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:24 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cryssym.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cryssym.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:24 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pexsi_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:24 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_dissection.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' submatrix_dissection.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_gaussian.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_lattice_summation.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_lattice_summation.F eri_mme_lattice_summation.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_operators_r12.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_struct.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_struct.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_2d_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' distribution_2d_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"global_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' global_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ct_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_base.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_base.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_neighbor_list_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_neighbor_list_types.F fist_neighbor_list_types.F90 /build/reproducible-path/cp2k-2025.1/src/input/cp_parser_methods.F:546:10: 546 | IF (length > 0) THEN @@ -4210,77 +4262,109 @@ 530 | INTEGER :: i, len_trim_inputline, length | ^~~~~~ note: 'length' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'subcell_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subcell_types.F subcell_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'space_groups_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/space_groups_types.F space_groups_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_types.F tmc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' space_groups_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_neighbor_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subcell_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' subcell_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'global_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_external_control.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_external_control.F cp_external_control.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'statistical_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/statistical_methods.F statistical_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_external_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_external_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"statistical_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' statistical_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'space_groups_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ct_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_upf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_upf.F atom_upf.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_message.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_message.F swarm_message.F90 +/build/reproducible-path/cp2k-2025.1/src/statistical_methods.F:440:4: + + 440 | SUBROUTINE tests(xdata, globenv) + | ^~~~~~~~~~~~~~~~ +Warning: 'tests' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a" -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'distribution_1d_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bibliography.mod' due to: target does not exist true Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a parallel_rng_types.o timings_base_type.o cp_array_sort.o list_routinestat.o string_table.o timings_report.o memory_utilities.o cg_test.o cp_array_utils.o cp_result_types.o cp_result_methods.o t_sh_p_s_c.o d3_poly.o reference_manager.o structure_factors.o callgraph.o cp_error_handling.o list.o kahan_sum.o cp_files.o util.o gamma.o cp_log_handling.o fparser.o bessel_lib.o whittaker.o lebedev.o t_c_g0.o timings.o timings_types.o cp_units.o cp_min_heap.o cp_iter_types.o periodic_table.o splines.o list_routinereport.o structure_factor_types.o list_callstackentry.o lapack.o routine_map.o bibliography.o list_timerenv.o spherical_harmonics.o eigenvalueproblems.o distribution_1d_types.o mathconstants.o physcon.o mathlib.o print_messages.o string_utilities.o linear_systems.o powell.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a callgraph.o fparser.o cp_array_utils.o bessel_lib.o cp_iter_types.o util.o gamma.o structure_factor_types.o list_callstackentry.o distribution_1d_types.o parallel_rng_types.o cg_test.o t_sh_p_s_c.o lebedev.o cp_log_handling.o string_table.o list_routinestat.o linear_systems.o mathconstants.o periodic_table.o whittaker.o powell.o structure_factors.o reference_manager.o timings_report.o cp_array_sort.o routine_map.o splines.o eigenvalueproblems.o list.o memory_utilities.o cp_result_methods.o lapack.o kahan_sum.o string_utilities.o spherical_harmonics.o timings.o list_timerenv.o cp_error_handling.o cp_files.o bibliography.o t_c_g0.o timings_base_type.o cp_result_types.o physcon.o cp_min_heap.o d3_poly.o timings_types.o print_messages.o cp_units.o list_routinereport.o mathlib.o +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_upf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_upf.F90 ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbcsr_vector.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pexsi_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pexsi_types.F pexsi_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_message.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_message.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cryssym.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cryssym.F cryssym.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'submatrix_dissection.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/submatrix_dissection.F submatrix_dissection.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_val_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_contract_block.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'subcell_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_base.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:170: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/memory_utilities_unittest.psmp' due to: target does not exist +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/memory_utilities_unittest.psmp memory_utilities_unittest.o -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:166: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/parallel_rng_types_unittest.psmp' due to: target does not exist +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/parallel_rng_types_unittest.psmp parallel_rng_types_unittest.o -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:182: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dbm_miniapp.psmp' due to: target does not exist +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dbm_miniapp.psmp dbm_miniapp.o -lcp2kdbm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cryssym.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cryssym.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_keyword_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/input_keyword_types.F input_keyword_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pexsi_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_linked_list_input.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_linked_list_input.F cp_linked_list_input.F90 +/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:146: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/graph.psmp' due to: target does not exist +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/graph.psmp graph.o -lcp2kmetadyn_tools -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"submatrix_dissection.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' submatrix_dissection.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_neighbor_list_types.mod' due to: target does not exist true -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a dbcsr_vector.o -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'arnoldi_data_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_data_methods.F arnoldi_data_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'arnoldi_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_methods.F arnoldi_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_util.F ps_wavelet_util.F90 -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_blacs_env.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/cp_external_control.F:216:53: + + 216 | time_check = m_walltime() - my_start_time + | ^ +Warning: 'my_start_time' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/cp_external_control.F:104:61: + + 104 | REAL(KIND=dp) :: my_start_time, my_target_time, t1, t2, & + | ^~~~~~~~~~~~~ +note: 'my_start_time' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'statistical_methods.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_data_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_data_methods.F90 -/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:170: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/graph.psmp' due to: target does not exist -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/graph.psmp graph.o -lcp2kmetadyn_tools -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'distribution_2d_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/distribution_2d_types.F distribution_2d_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'global_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/global_types.F global_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_types.F almo_scf_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ct_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ct_types.F ct_types.F90 -/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:178: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/memory_utilities_unittest.psmp' due to: target does not exist -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/memory_utilities_unittest.psmp memory_utilities_unittest.o -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:174: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/parallel_rng_types_unittest.psmp' due to: target does not exist -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/parallel_rng_types_unittest.psmp parallel_rng_types_unittest.o -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:194: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dbm_miniapp.psmp' due to: target does not exist -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dbm_miniapp.psmp dbm_miniapp.o -lcp2kdbm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_keyword_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_keyword_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_struct.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_struct.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_struct.F cp_fm_struct.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"global_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' global_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_neighbor_list_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_neighbor_list_types.F fist_neighbor_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'space_groups_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/space_groups_types.F space_groups_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_2d_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' distribution_2d_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'subcell_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subcell_types.F subcell_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ct_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_types.F tmc_types.F90 -/build/reproducible-path/cp2k-2025.1/src/cryssym.F:479:42: - - 479 | csym%kplink(1, j) = itoj - | ^ -Warning: 'itoj' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/cryssym.F:383:79: +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_types.F cp_fm_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_linked_list_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_linked_list_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_analysis_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_analysis_types.F tmc_analysis_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_external_control.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_base.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/input/input_keyword_types.F:546:83: - 383 | iq3, istriz, isy, itoj, j, kr, li, lr, & - | ^~~~ -note: 'itoj' was declared here + 546 | c_string = cp_unit_desc(keyword%unit, accept_undefined=.TRUE.) + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_util.F ps_wavelet_util.F90 /build/reproducible-path/cp2k-2025.1/src/pw/fft_tools.F:3230:62: 3230 | fft_scratch_last%fft_scratch%fft_scratch_id + 1 @@ -4291,34 +4375,49 @@ 2884 | fft_scratch_last, & | ^~~~~~~~~~~~~~~~ note: 'fft_scratch_last' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_analysis_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbcsr_vector.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'domain_submatrix_methods.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_struct.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_struct.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' space_groups_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_neighbor_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subcell_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' subcell_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a" +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'distribution_2d_types.mod' due to: target does not exist +true +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a dbcsr_vector.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrx.a +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'arnoldi_data_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_data_methods.F arnoldi_data_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'arnoldi_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_methods.F arnoldi_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_diis_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_diis_types.F almo_scf_diis_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_val_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a" +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_compression_core_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_methods.mod' due to: target does not exist +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a hfx_contraction_methods.o hfx_compression_core_methods.o hfx_contract_block.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a +/build/reproducible-path/cp2k-2025.1/src/atom_upf.F:510:29: + + 510 | CPASSERT(ms <= m) + | ^ +Warning: 'm' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_upf.F:446:69: + + 446 | INTEGER :: icount, m, mc, ms + | ^ +note: 'm' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_data_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_data_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_diis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_diis_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pexsi_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_keyword_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/input_keyword_types.F input_keyword_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_linked_list_input.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_linked_list_input.F cp_linked_list_input.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_upf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_upf.F atom_upf.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_message.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_message.F swarm_message.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'libint_2c_3c.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_diis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_diis_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_upf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_upf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_keyword_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_keyword_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_linked_list_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_linked_list_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_message.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_message.F90 /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_data_methods.F:217:4: 217 | SUBROUTINE set_eval_selection(ar_data, itype) @@ -4329,46 +4428,16 @@ 326 | SUBROUTINE get_all_selected_ritz_val(ar_data, eval_out) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'get_all_selected_ritz_val' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/input/input_keyword_types.F:546:83: - - 546 | c_string = cp_unit_desc(keyword%unit, accept_undefined=.TRUE.) - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/120) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pexsi_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'global_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_external_control.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_external_control.F cp_external_control.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'statistical_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/statistical_methods.F statistical_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_data_methods.F:318:37: - - 318 | END FUNCTION get_selected_ritz_val - | ^ -Warning: 'eval_out' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_data_methods.F:298:64: +/build/reproducible-path/cp2k-2025.1/src/cryssym.F:479:42: - 298 | FUNCTION get_selected_ritz_val(ar_data, ind) RESULT(eval_out) - | ^ -note: 'eval_out' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_external_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_external_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"statistical_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' statistical_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'space_groups_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ct_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cryssym.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_analysis_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_analysis_types.F tmc_analysis_types.F90 -/build/reproducible-path/cp2k-2025.1/src/statistical_methods.F:440:4: + 479 | csym%kplink(1, j) = itoj + | ^ +Warning: 'itoj' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/cryssym.F:383:79: - 440 | SUBROUTINE tests(xdata, globenv) - | ^~~~~~~~~~~~~~~~ -Warning: 'tests' defined but not used [-Wunused-function] + 383 | iq3, istriz, isy, itoj, j, kr, li, lr, & + | ^~~~ +note: 'itoj' was declared here /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_util.F:154:15: 154 | ELSE IF (istart + 1 <= nlim) THEN !this condition assures that we have perform good zero padding @@ -4379,49 +4448,34 @@ 92 | nd2, nd3, nlim, nwb, nwbl, nwbr, nxc, & | ^~~~ note: 'nlim' was declared here -/build/reproducible-path/cp2k-2025.1/src/atom_upf.F:510:29: - - 510 | CPASSERT(ms <= m) - | ^ -Warning: 'm' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_upf.F:446:69: - - 446 | INTEGER :: icount, m, mc, ms - | ^ -note: 'm' was declared here -/build/reproducible-path/cp2k-2025.1/src/cp_external_control.F:216:53: +/build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_data_methods.F:318:37: - 216 | time_check = m_walltime() - my_start_time - | ^ -Warning: 'my_start_time' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/cp_external_control.F:104:61: + 318 | END FUNCTION get_selected_ritz_val + | ^ +Warning: 'eval_out' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_data_methods.F:298:64: - 104 | REAL(KIND=dp) :: my_start_time, my_target_time, t1, t2, & - | ^~~~~~~~~~~~~ -note: 'my_start_time' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_analysis_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_neighbor_list_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'subcell_types.mod' due to: target does not exist + 298 | FUNCTION get_selected_ritz_val(ar_data, ind) RESULT(eval_out) + | ^ +note: 'eval_out' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_upf.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_kernel.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_kernel.F ps_wavelet_kernel.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_data_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_analysis_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_kernel.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_struct.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_base.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_external_control.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_io.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_io.F dbt_tas_io.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_reshape_ops.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_reshape_ops.F dbt_tas_reshape_ops.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_util.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_types.o' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_io.F90 /build/reproducible-path/cp2k-2025.1/src/almo_scf_diis_types.F:516:41: 516 | almo_scf_diis_error_overlap = trace | ^ Warning: 'trace' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_types.F cp_fm_types.F90 /build/reproducible-path/cp2k-2025.1/src/almo_scf_diis_types.F:484:61: 484 | REAL(KIND=dp) :: trace @@ -4437,23 +4491,24 @@ 484 | REAL(KIND=dp) :: trace | ^~~~~ note: 'trace' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_base.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_io.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_io.F dbt_tas_io.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_reshape_ops.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_reshape_ops.F dbt_tas_reshape_ops.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'distribution_2d_types.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_reshape_ops.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'statistical_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_upf.mod' due to: target does not exist -true +/build/reproducible-path/cp2k-2025.1/src/swarm/swarm_message.F:822:33: + + 822 | arr(i) = ICHAR(str(i:i)) + | ^ +Warning: 'curr_entry' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/swarm/swarm_message.F:237:61: + + 237 | TYPE(message_entry_type), POINTER :: curr_entry + | ^~~~~~~~~~ +note: 'curr_entry' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_types.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_reshape_ops.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_kernel.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_kernel.F ps_wavelet_kernel.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_linked_list_input.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_kernel.F90 /build/reproducible-path/cp2k-2025.1/src/almo_scf_diis_types.F:317:75: 317 | diis_env%m_b(idomain)%mdata(in_point + 1, irow + 1) = trace0 @@ -4464,20 +4519,12 @@ 230 | REAL(KIND=dp) :: trace0 | ^~~~~~ note: 'trace0' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_analysis_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_data_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_linked_list_input.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cryssym.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_message.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/swarm/swarm_message.F:822:33: - - 822 | arr(i) = ICHAR(str(i:i)) - | ^ -Warning: 'curr_entry' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/swarm/swarm_message.F:237:61: - - 237 | TYPE(message_entry_type), POINTER :: curr_entry - | ^~~~~~~~~~ -note: 'curr_entry' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_io.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_keyword_types.mod' due to: target does not exist @@ -4486,9 +4533,7 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/input_section_types.F input_section_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_diis_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_message.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_section_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_section_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_section_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_section_types.F90 /build/reproducible-path/cp2k-2025.1/src/input/input_section_types.F:931:3: 931 | FUNCTION section_get_cval(section_vals, keyword_name) RESULT(res) @@ -4499,14 +4544,6 @@ 963 | FUNCTION section_get_rvals(section_vals, keyword_name) RESULT(res) | ^ Warning: 'section_get_rvals' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'submatrix_dissection.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_kernel.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_reshape_ops.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_mm.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F dbt_tas_mm.F90 /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_types.F:1279:10: 1279 | IF (docol) THEN @@ -4517,7 +4554,6 @@ 1253 | LOGICAL :: docol | ^~~~~ note: 'docol' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:31 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_mm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_mm.F90 /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_types.F:1119:57: 1119 | ic_max_vec(mepos) = col_indices(ic_max_local) @@ -4538,21 +4574,58 @@ 1063 | INTEGER :: handle, i, ic_max_local, ir_max_local, & | ^~~~~~~~~~~~ note: 'ir_max_local' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fft_tools.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_reshape_ops.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_grid_info.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_grid_info.F pw_grid_info.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:31 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_info.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_grid_info.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_mm.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F dbt_tas_mm.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'submatrix_dissection.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_mm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_mm.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_types.F cp_cfm_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_basic_linalg.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F cp_fm_basic_linalg.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_cusolver_api.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_cusolver_api.F cp_fm_cusolver_api.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_diag_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_diag_utils.F cp_fm_diag_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_linked_list_fm.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_linked_list_fm.F cp_linked_list_fm.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_types.F preconditioner_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'et_coupling_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/et_coupling_types.F et_coupling_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_laplace.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_laplace.F mp2_laplace.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_kernel.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_basic_linalg.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cusolver_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_cusolver_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_diag_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_linked_list_fm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_linked_list_fm.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' et_coupling_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_laplace.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_laplace.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_section_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'external_potential_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F external_potential_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_output_handling.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/cp_output_handling.F cp_output_handling.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_cusolver_api.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'basis_set_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F basis_set_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_parsing.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input/input_parsing.F input_parsing.F90 +/build/reproducible-path/cp2k-2025.1/src/et_coupling_types.F:74:4: + + 74 | SUBROUTINE get_et_coupling_type(et_coupling, et_mo_coeff, rest_mat) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'get_et_coupling_type' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_efield_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_efield_types.F fist_efield_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_types.o' due to: target does not exist @@ -4561,202 +4634,207 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_cdft_opt_types.F qs_cdft_opt_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'smeagol_control_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/smeagol_control_types.F smeagol_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/external_potential_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' external_potential_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_output_handling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_output_handling.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eeq_input.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eeq_input.F eeq_input.F90 +/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_types.F:720:4: + + 720 | SUBROUTINE cp_cfm_to_cfm_triangular(msource, mtarget, uplo) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'cp_cfm_to_cfm_triangular' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_field.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_field.F input_cp2k_field.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/external_potential_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' external_potential_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/cp_output_handling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' cp_output_handling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' basis_set_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_parsing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_parsing.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'metadynamics_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadynamics_types.F metadynamics_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_efield_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_density_mixing_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_density_mixing_types.F qs_density_mixing_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' basis_set_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input/input_parsing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/input/' input_parsing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_efield_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'et_coupling_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_opt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_opt_types.F90 +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:352:4: + + 352 | SUBROUTINE cp_fm_lu_decompose(matrix_a, almost_determinant, correct_sign) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'cp_fm_lu_decompose' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:1980:4: + + 1980 | SUBROUTINE cp_fm_lu_invert(matrix, info_out) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'cp_fm_lu_invert' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:2199:3: + + 2199 | FUNCTION cp_fm_latra(matrix) RESULT(res) + | ^ +Warning: 'cp_fm_latra' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_kpoints.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_kpoints.F input_cp2k_kpoints.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_block_davidson_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_block_davidson_types.F qs_block_davidson_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eeq_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eeq_input.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rel_control_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rel_control_types.F rel_control_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_opt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_opt_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_control_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mom_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mom_types.F qs_mom_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' metadynamics_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_field.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_field.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_input.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_input.F qs_fb_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_control_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gopt_param_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/gopt_param_types.F gopt_param_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' metadynamics_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'extended_system_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/extended_system_types.F extended_system_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eeq_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eeq_input.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'free_energy_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/free_energy_types.F free_energy_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_field.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_field.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'reftraj_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/reftraj_types.F reftraj_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermal_region_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermal_region_types.F thermal_region_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rel_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rel_control_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_libxc_wrap.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_libxc_wrap.F xc_libxc_wrap.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_mixing_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_density_mixing_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_kpoints.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_kpoints.F90 +/build/reproducible-path/cp2k-2025.1/src/input/cp_output_handling.F:773:23: + + 773 | outName = outPath + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_mixing_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_density_mixing_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_exstate.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_exstate.F input_cp2k_exstate.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_kpoints.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_kpoints.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mom_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_external.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_external.F input_cp2k_external.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_block_davidson_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_block_davidson_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rel_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rel_control_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_harris.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_harris.F input_cp2k_harris.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_param_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_param_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_distribution.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_distribution.F input_cp2k_distribution.F90 -/build/reproducible-path/cp2k-2025.1/src/input/cp_output_handling.F:773:23: - - 773 | outName = outPath - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"extended_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' extended_system_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mom_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_input.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'iao_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/iao_types.F iao_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"free_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' free_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"extended_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' extended_system_types.F90 +/build/reproducible-path/cp2k-2025.1/src/smeagol_control_types.F:313:49: + + 313 | smeagol_control%project_name = project_name + | 1 +Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_laplace.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_atprop.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_atprop.F input_cp2k_atprop.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' reftraj_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc_wrap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_libxc_wrap.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_gaussian_input.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F qmmm_gaussian_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_exstate.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_exstate.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermal_region_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermal_region_types.F thermal_region_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_external.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_external.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gopt_param_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/gopt_param_types.F gopt_param_types.F90 +/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F:470:57: + + 470 | basis_set%name = basis_set%name//basis_set_add%name + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/160) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F:342:48: + + 342 | pbasis%name = basis_set%name//"_primitive" + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/90) at (1) [-Wcharacter-truncation] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_harris.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_harris.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_distribution.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_distribution.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'free_energy_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/free_energy_types.F free_energy_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iao_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' iao_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'reftraj_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/reftraj_types.F reftraj_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_restart_rng.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_restart_rng.F input_restart_rng.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc_wrap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_libxc_wrap.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' thermal_region_types.F90 -/build/reproducible-path/cp2k-2025.1/src/smeagol_control_types.F:313:49: - - 313 | smeagol_control%project_name = project_name - | 1 -Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atprop.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_atprop.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' thermal_region_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_param_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_param_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"free_energy_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' free_energy_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optimize_basis_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optimize_basis_utils.F optimize_basis_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_exstate.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_exstate.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_input.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_optimize_basis.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_optimize_basis.F input_optimize_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_external.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_external.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_distribution.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_distribution.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_history.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/glbopt_history.F glbopt_history.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_harris.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_harris.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iao_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' iao_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atprop.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_atprop.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' reftraj_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_mpi.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_mpi.F swarm_mpi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_rng.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_restart_rng.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_rng.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_restart_rng.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_basis_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_move_handle.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_move_handle.F tmc_move_handle.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_grid_info.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_basis_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_efield_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_diag_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rel_control_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_optimize_basis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_linked_list_fm.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F:470:57: - - 470 | basis_set%name = basis_set%name//basis_set_add%name - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/160) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F:342:48: - - 342 | pbasis%name = basis_set%name//"_primitive" - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/90) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_methods.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_history.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_history.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_efield_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_optimize_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_history.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_history.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_grids.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F pw_grids.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_mpi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_mpi.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eeq_input.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_handle.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_move_handle.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gopt_param_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_mpi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_mpi.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermal_region_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_block_davidson_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rel_control_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'arnoldi_api.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_api.F arnoldi_api.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_types.F qs_dispersion_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mom_types.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_move_handle.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_move_handle.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_input.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grids.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_grids.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'extended_system_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'reftraj_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_libxc_wrap.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_exstate.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_atprop.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_kpoints.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'al_system_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/al_system_types.F al_system_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/csvr_system_types.F csvr_system_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_api.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gle_system_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gle_system_types.F gle_system_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'free_energy_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_external.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_harris.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_distribution.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'iao_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_restart_rng.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_atprop.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gle_system_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gle_system_types.F gle_system_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermal_region_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gopt_param_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'al_system_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/al_system_types.F al_system_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/csvr_system_types.F csvr_system_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'reftraj_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_pool_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_pool_types.F cp_fm_pool_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_cdft_opt_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_types.F qs_dispersion_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_field.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"al_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' al_system_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_libxc_wrap.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gle_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gle_system_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'metadynamics_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_kpoints.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'outer_scf_control_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/outer_scf_control_types.F outer_scf_control_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'metadynamics_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' csvr_system_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'free_energy_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"csvr_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' csvr_system_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gle_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gle_system_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_types.F preconditioner_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'et_coupling_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/et_coupling_types.F et_coupling_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_block_davidson_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_block_davidson_types.F qs_block_davidson_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_external.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"al_system_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' al_system_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_restart_rng.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_laplace.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_laplace.F mp2_laplace.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_basic_linalg.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F cp_fm_basic_linalg.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_types.F cp_cfm_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_cusolver_api.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_cusolver_api.F cp_fm_cusolver_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"outer_scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' outer_scf_control_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_diag_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_diag_utils.F cp_fm_diag_utils.F90 /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:1044:48: 1044 | nsplit_prv = INT((d1 - 1)/d2 + 1) @@ -4777,45 +4855,23 @@ 922 | INTEGER(KIND=int_8) :: d1, d2, nze1, nze2 | ^~ note: 'd2' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_linked_list_fm.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_linked_list_fm.F cp_linked_list_fm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_block_davidson_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_block_davidson_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_optimize_basis.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' et_coupling_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_laplace.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_laplace.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_basic_linalg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cusolver_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_cusolver_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_diag_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_types.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_linked_list_fm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_linked_list_fm.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_mpi.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'al_system_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_history.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'outer_scf_control_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/outer_scf_control_types.F outer_scf_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_pool_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_pool_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"outer_scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' outer_scf_control_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fft_tools.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'outer_scf_control_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_optimize_basis.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_minhop.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/glbopt_minhop.F glbopt_minhop.F90 -/build/reproducible-path/cp2k-2025.1/src/et_coupling_types.F:74:4: - - 74 | SUBROUTINE get_et_coupling_type(et_coupling, et_mo_coeff, rest_mat) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'get_et_coupling_type' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_grid_info.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_grid_info.F pw_grid_info.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'smeagol_control_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_parsing.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'smeagol_emtoptions.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/smeagol_emtoptions.F smeagol_emtoptions.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_types.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_minhop.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_minhop.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_cusolver_api.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:1509:120: 1509 | nsplit = INT(MIN(INT(numnodes, KIND=int_8), NINT(REAL(max_nze, dp)/(REAL(min_nze, dp)*s_opt_factor), KIND=int_8))) @@ -4836,173 +4892,245 @@ 1490 | INTEGER(KIND=int_8) :: max_nze, min_nze | ^~~~~~~ note: 'min_nze' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_laplace.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_read.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_read.F input_cp2k_read.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_check.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_check.F input_cp2k_check.F90 +/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F:2519:37: + + 2519 | ss = ss + sss*ca(i)*cb(j) + | ^ +Warning: 'sss' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F:2499:78: + + 2499 | REAL(KIND=dp) :: ab, ai, aj, s00, sss + | ^~~ +note: 'sss' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grid_info.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_grid_info.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_parsing.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_pool_types.F:265:4: + + 265 | SUBROUTINE fm_pools_copy(source_pools, target_pools) + | ^~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'fm_pools_copy' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_history.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'et_coupling_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_read.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_read.F90 +/build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F:671:69: + + 671 | REAL(KIND=dp) :: radius, rc + | ^~ +Warning: 'rc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_mpi.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_check.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_check.F input_cp2k_check.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_read.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_read.F input_cp2k_read.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_emtoptions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_emtoptions.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_check.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_check.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_minhop.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/glbopt_minhop.F glbopt_minhop.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_output_handling.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_emtoptions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_emtoptions.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_minhop.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_minhop.F90 /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a" +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'outer_scf_control_types.mod' due to: target does not exist +true Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a input_parsing.o cp_linked_list_input.o cp_parser_methods.o cp_parser_status_types.o cp_parser_inpp_types.o input_section_types.o cp_parser_ilist_types.o input_keyword_types.o cp_parser_buffer_types.o cp_parser_ilist_methods.o cp_parser_inpp_methods.o input_enumeration_types.o cp_output_handling.o cp_parser_types.o input_val_types.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a input_section_types.o cp_parser_inpp_methods.o input_enumeration_types.o cp_parser_methods.o cp_parser_buffer_types.o cp_parser_types.o input_keyword_types.o cp_parser_ilist_methods.o cp_linked_list_input.o cp_parser_status_types.o cp_parser_ilist_types.o input_parsing.o input_val_types.o cp_output_handling.o cp_parser_inpp_types.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a +/build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F:237:80: + + 237 | REAL(KIND=dp) :: my_radius, radius, rc + | ^~ +Warning: 'rc' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_control.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_control.F xas_control.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:2336:72: + + 2336 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1))) + | ^ +Warning: 'strlen1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1685:87: + + 1685 | nprj_ppnl, nprj_ppnl_max, strlen1, & + | ^~~~~~~ +note: 'strlen1' was declared here +/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:2336:72: + + 2336 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1))) + | ^ +Warning: 'strlen2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1686:61: + + 1686 | strlen2 + | ^~~~~~~ +note: 'strlen2' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_types.F xtb_types.F90 -/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_types.F:720:4: - - 720 | SUBROUTINE cp_cfm_to_cfm_triangular(msource, mtarget, uplo) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'cp_cfm_to_cfm_triangular' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_utils.F qs_dftb_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fp_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fp_types.F fp_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gaussian_gridlevels.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw_env/gaussian_gridlevels.F gaussian_gridlevels.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_check.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_check.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'linesearch.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/linesearch.F linesearch.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_control.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_density_mixing_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_read.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_read.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_hfx.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_hfx.F input_cp2k_hfx.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_block_davidson_types.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_control.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_scf.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_scf.F input_cp2k_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_pwdft.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_pwdft.F input_cp2k_pwdft.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:616:76: + + 616 | IF (nze_c_sum > default_nsplit_accept_ratio*MAX(nze_a, nze_b)) THEN + | ^ +Warning: 'matrix_c_rep' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:135:74: + + 135 | matrix_b_rs, matrix_c_rep, matrix_c_rs + | ^~~~~~~~~~~~ +note: 'matrix_c_rep' was declared here +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:637:85: + + 637 | CALL dbt_tas_write_dist(matrix_a_rep, unit_nr_prv, full_info=log_verbose) + | ^ +Warning: 'matrix_a_rep' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:134:61: + + 134 | TYPE(dbt_tas_type), POINTER :: matrix_a_rep, matrix_a_rs, matrix_b_rep, & + | ^~~~~~~~~~~~ +note: 'matrix_a_rep' was declared here +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:459:85: + + 459 | CALL dbt_tas_write_dist(matrix_b_rep, unit_nr_prv, full_info=log_verbose) + | ^ +Warning: 'matrix_b_rep' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:134:88: + + 134 | TYPE(dbt_tas_type), POINTER :: matrix_a_rep, matrix_a_rs, matrix_b_rep, & + | ^~~~~~~~~~~~ +note: 'matrix_b_rep' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fp_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_charge_mixing.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_charge_mixing.F qs_charge_mixing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/gaussian_gridlevels.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' gaussian_gridlevels.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"linesearch.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' linesearch.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_almo.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_almo.F input_cp2k_almo.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fp_types.F90 +/build/reproducible-path/cp2k-2025.1/src/tmc/tmc_move_handle.F:298:16: + + 298 | IF (move_types%mv_weight(ind) .GT. 0.0) THEN + | ^ +Warning: 'ind' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/tmc/tmc_move_handle.F:77:78: + + 77 | INTEGER :: i, i_rep, i_tmp, ind, n_items, & + | ^~~ +note: 'ind' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_voronoi.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_voronoi.F input_cp2k_voronoi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/gaussian_gridlevels.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' gaussian_gridlevels.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_projection_rtp.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_projection_rtp.F input_cp2k_projection_rtp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"linesearch.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' linesearch.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_hfx.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_hfx.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_hfx.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_hfx.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_scf.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_transport.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_transport.F input_cp2k_transport.F90 -/build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F:671:69: - - 671 | REAL(KIND=dp) :: radius, rc - | ^~ -Warning: 'rc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:352:4: - - 352 | SUBROUTINE cp_fm_lu_decompose(matrix_a, almost_determinant, correct_sign) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'cp_fm_lu_decompose' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:1980:4: - - 1980 | SUBROUTINE cp_fm_lu_invert(matrix, info_out) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'cp_fm_lu_invert' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:2199:3: - - 2199 | FUNCTION cp_fm_latra(matrix) RESULT(res) - | ^ -Warning: 'cp_fm_latra' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_pwdft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_pwdft.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_opt.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_opt.F input_cp2k_opt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charge_mixing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_charge_mixing.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_smeagol.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_smeagol.F input_cp2k_smeagol.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_pwdft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_pwdft.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_scf.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_eip.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_eip.F input_cp2k_eip.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_charge_mixing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_charge_mixing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_almo.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_almo.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_almo.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_almo.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_voronoi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_voronoi.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_embed.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_embed.F input_cp2k_embed.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_voronoi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_voronoi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_projection_rtp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_projection_rtp.F90 -/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F:2519:37: - - 2519 | ss = ss + sss*ca(i)*cb(j) - | ^ -Warning: 'sss' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_types.F:2499:78: - - 2499 | REAL(KIND=dp) :: ab, ai, aj, s00, sss - | ^~~ -note: 'sss' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_projection_rtp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_projection_rtp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_mixed.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_mixed.F input_cp2k_mixed.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_opt.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_nnp.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_nnp.F input_cp2k_nnp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_transport.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_transport.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_resp.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_resp.F input_cp2k_resp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_opt.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_read.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_eip.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_eip.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_free_energy.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_free_energy.F input_cp2k_free_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_smeagol.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_smeagol.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_transport.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_transport.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_smeagol.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_smeagol.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_embed.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_embed.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gaussian_input.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gle_system_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mixed.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_mixed.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_nnp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_nnp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'al_system_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_vib.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/input_cp2k_vib.F input_cp2k_vib.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'farming_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/farming_methods.F farming_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mixed.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_mixed.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_optimize_input.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_optimize_input.F input_optimize_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_eip.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_eip.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_embed.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_embed.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_free_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_free_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_nnp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_nnp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_vib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' input_cp2k_vib.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_resp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_resp.F90 -/build/reproducible-path/cp2k-2025.1/src/tmc/tmc_move_handle.F:298:16: +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_constraints.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_constraints.F input_cp2k_constraints.F90 +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:2153:34: - 298 | IF (move_types%mv_weight(ind) .GT. 0.0) THEN - | ^ -Warning: 'ind' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/tmc/tmc_move_handle.F:77:78: + 2153 | ALLOCATE (work_sp(lwork)) + | ^ +Warning: 'lwork' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:2116:40: - 77 | INTEGER :: i, i_rep, i_tmp, ind, n_items, & - | ^~~ -note: 'ind' was declared here + 2116 | INTEGER :: nrows, ncols, handle, lwork, nrows_local, ncols_local + | ^~~~~ +note: 'lwork' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_resp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_resp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'farming_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/farming_methods.F farming_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_negf.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_negf.F input_cp2k_negf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_optimize_input.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_constraints.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_constraints.F input_cp2k_constraints.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' farming_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_optimize_input.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_optimize_input.F input_optimize_input.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_input.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/glbopt_input.F glbopt_input.F90 -/build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_api.F:493:13: - - 493 | IF (SQRT(rsnew) < control%threshold) control%converged = .TRUE. - | ^ -Warning: 'rsnew' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_api.F:398:79: - - 398 | REAL(KIND=dp) :: alpha, beta, pap, rsnew, rsold - | ^~~~~ -note: 'rsnew' was declared here -/build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F:237:80: - - 237 | REAL(KIND=dp) :: my_radius, radius, rc - | ^~ -Warning: 'rc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_move_handle.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_grid_info.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_control.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_free_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_free_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_vib.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' input_cp2k_vib.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_constraints.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_constraints.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"farming_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' farming_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_negf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_negf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_optimize_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_optimize_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fp_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_pool_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_pwdft.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'arnoldi_api.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_api.F arnoldi_api.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'smeagol_emtoptions.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermostat_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_types.F thermostat_types.F90 /build/reproducible-path/cp2k-2025.1/src/input_cp2k_almo.F:672:10: 672 | IF (optimizer_type .EQ. optimizer_diis) THEN @@ -5013,22 +5141,23 @@ 580 | INTEGER :: optimizer_type | ^~~~~~~~~~~~~~ note: 'optimizer_type' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_negf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_negf.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_diag_utils.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_input.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_linked_list_fm.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_constraints.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_constraints.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_control.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fp_types.mod' due to: target does not exist -true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_grids.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F pw_grids.F90 /build/reproducible-path/cp2k-2025.1/src/linesearch.F:321:32: 321 | this%step_size = step_size | ^ Warning: 'step_size' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_types.F:2906:56: + + 2906 | potential%npot(l) = potential%npot(l) + 1 + | ^ +Warning: 'l' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_types.F:2851:68: + + 2851 | INTEGER :: i, ic, l, ncore, nel + | ^ +note: 'l' was declared here /build/reproducible-path/cp2k-2025.1/src/linesearch.F:303:61: 303 | REAL(KIND=dp) :: step_size @@ -5046,107 +5175,186 @@ note: 'is_done' declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gaussian_gridlevels.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gle_system_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_eip.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_pwdft.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_projection_rtp.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:616:76: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"arnoldi/arnoldi_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/arnoldi/' arnoldi_api.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_nnp.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_voronoi.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_embed.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'linesearch.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_grids.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_grids.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_types.F pao_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_minhop.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1629:72: - 616 | IF (nze_c_sum > default_nsplit_accept_ratio*MAX(nze_a, nze_b)) THEN - | ^ -Warning: 'matrix_c_rep' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:135:74: + 1629 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1))) + | ^ +Warning: 'strlen2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1492:70: - 135 | matrix_b_rs, matrix_c_rep, matrix_c_rs - | ^~~~~~~~~~~~ -note: 'matrix_c_rep' was declared here -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:637:85: + 1492 | strlen1, strlen2 + | ^~~~~~~ +note: 'strlen2' was declared here +/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1629:72: - 637 | CALL dbt_tas_write_dist(matrix_a_rep, unit_nr_prv, full_info=log_verbose) - | ^ -Warning: 'matrix_a_rep' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:134:61: + 1629 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1))) + | ^ +Warning: 'strlen1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1492:61: - 134 | TYPE(dbt_tas_type), POINTER :: matrix_a_rep, matrix_a_rs, matrix_b_rep, & - | ^~~~~~~~~~~~ -note: 'matrix_a_rep' was declared here -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:459:85: + 1492 | strlen1, strlen2 + | ^~~~~~~ +note: 'strlen1' was declared here +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:1712:45: - 459 | CALL dbt_tas_write_dist(matrix_b_rep, unit_nr_prv, full_info=log_verbose) - | ^ -Warning: 'matrix_b_rep' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:134:88: + 1712 | IF (PRESENT(det_a)) det_a = determinant + | ^ +Warning: 'determinant' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:1553:51: - 134 | TYPE(dbt_tas_type), POINTER :: matrix_a_rep, matrix_a_rs, matrix_b_rep, & - | ^~~~~~~~~~~~ -note: 'matrix_b_rep' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_contraction_methods.mod' due to: target does not exist + 1553 | REAL(KIND=dp) :: determinant, my_eps_svd + | ^~~~~~~~~~~ +note: 'determinant' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:2336:72: +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_basic_linalg.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_basic_linalg.F cp_cfm_basic_linalg.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_diis_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_diis_types.F qs_diis_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_green_cache.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_green_cache.F negf_green_cache.F90 +/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1444:72: - 2336 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1))) + 1444 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1))) | ^ Warning: 'strlen1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1685:87: +/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1303:70: - 1685 | nprj_ppnl, nprj_ppnl_max, strlen1, & - | ^~~~~~~ + 1303 | INTEGER :: irep, l, strlen1, strlen2 + | ^~~~~~~ note: 'strlen1' was declared here -/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:2336:72: +/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1444:72: - 2336 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1))) + 1444 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1))) | ^ Warning: 'strlen2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1686:61: +/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1303:79: - 1686 | strlen2 - | ^~~~~~~ + 1303 | INTEGER :: irep, l, strlen1, strlen2 + | ^~~~~~~ note: 'strlen2' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'smeagol_emtoptions.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_optimize_input.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_voronoi.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_diis_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_basic_linalg.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_almo.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_projection_rtp.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_opt.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_eip.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_vib.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_read.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_hfx.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_move_handle.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_cache.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_green_cache.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_mixed.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_pool_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_pool_types.F cp_fm_pool_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_input.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermostat_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_types.F thermostat_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_embed.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_transport.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_minhop.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_resp.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'linesearch.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_input.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_input.F swarm_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermostat_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_types.F pao_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:35 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_pool_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_pool_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:35 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:35 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_types.F90 -/build/reproducible-path/cp2k-2025.1/src/atom_types.F:2906:56: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'farming_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_negf.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_check.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_mm.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_types.F dbt_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_test.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_test.F dbt_tas_test.F90 +/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_basic_linalg.F:190:4: - 2906 | potential%npot(l) = potential%npot(l) + 1 - | ^ -Warning: 'l' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_types.F:2851:68: + 190 | SUBROUTINE cp_cfm_schur_product_cc(matrix_a, matrix_b, matrix_c) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'cp_cfm_schur_product_cc' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_diis_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_free_energy.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_constraints.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_charge_mixing.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_green_cache.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_api.F:493:13: - 2851 | INTEGER :: i, ic, l, ncore, nel - | ^ -note: 'l' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_transport.mod' due to: target does not exist + 493 | IF (SQRT(rsnew) < control%threshold) control%converged = .TRUE. + | ^ +Warning: 'rsnew' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_api.F:398:79: + + 398 | REAL(KIND=dp) :: alpha, beta, pap, rsnew, rsold + | ^~~~~ +note: 'rsnew' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_input.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_mixed.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_nnp.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_types.F dm_ls_scf_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_api.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_input.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_input.F pao_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_smeagol.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_param_fock.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_param_fock.F pao_param_fock.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_ml_gaussprocess.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_ml_gaussprocess.F pao_ml_gaussprocess.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_fock.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_fock.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_ml_neuralnet.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_ml_neuralnet.F pao_ml_neuralnet.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_basis_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a" +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_scf.mod' due to: target does not exist true +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a arnoldi_types.o arnoldi_api.o arnoldi_geev.o arnoldi_methods.o arnoldi_data_methods.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'iterate_matrix.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/iterate_matrix.F iterate_matrix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_gaussprocess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml_gaussprocess.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_neuralnet.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml_neuralnet.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iterate_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' iterate_matrix.F90 /build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1408:32: 1408 | DO n = nlim(1), nlim(2) @@ -5177,60 +5385,34 @@ 1380 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn | ^~~~~~~~~~~~ note: 'n_upperlimit' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_resp.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gaussian_input.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_negf.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_vib.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_optimize_input.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_input.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_hfx.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_api.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_almo.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_opt.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_basic_linalg.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a" -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_pool_types.F:265:4: +/build/reproducible-path/cp2k-2025.1/src/pao_input.F:235:31: - 265 | SUBROUTINE fm_pools_copy(source_pools, target_pools) - | ^~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'fm_pools_copy' defined but not used [-Wunused-function] -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a arnoldi_geev.o arnoldi_types.o arnoldi_methods.o arnoldi_data_methods.o arnoldi_api.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_input.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_input.F swarm_input.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'iterate_matrix.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/iterate_matrix.F iterate_matrix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:35 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_input.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'farming_methods.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:35 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iterate_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' iterate_matrix.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_constraints.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_check.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_free_energy.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_charge_mixing.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermostat_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_input.mod' due to: target does not exist + 235 | s = "GAUSSIAN_PROCESS" + | 1 +Warning: CHARACTER expression will be truncated in assignment (11/16) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/pao_input.F:237:29: + + 237 | s = "NEURAL_NETWORK" + | 1 +Warning: CHARACTER expression will be truncated in assignment (11/14) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_dlaf_api.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_dlaf_api.F cp_cfm_dlaf_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_dlaf_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_dlaf_api.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_test.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_pool_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a dbt_tas_util.o dbt_tas_mm.o dbt_tas_io.o dbt_tas_base.o dbt_tas_split.o dbt_tas_reshape_ops.o dbt_tas_global.o dbt_tas_test.o dbt_tas_types.o +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_unittest.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_unittest.F dbt_tas_unittest.F90 +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'external_potential_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atomic_kind_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/atomic_kind_types.F atomic_kind_types.F90 /build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1001:17: 1001 | .OR. .NOT. blocking) THEN @@ -5251,152 +5433,72 @@ 1457 | mm, n, n_upperlimit, nn | ^~~~~~~~~~~~ note: 'n_upperlimit' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_smeagol.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_types.F dm_ls_scf_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_input.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_input.F pao_input.F90 -/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1629:72: - - 1629 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1))) - | ^ -Warning: 'strlen2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1492:70: - - 1492 | strlen1, strlen2 - | ^~~~~~~ -note: 'strlen2' was declared here -/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1629:72: - - 1629 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1))) - | ^ -Warning: 'strlen1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1492:61: - - 1492 | strlen1, strlen2 - | ^~~~~~~ -note: 'strlen1' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_param_fock.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_param_fock.F pao_param_fock.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_ml_gaussprocess.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_ml_gaussprocess.F pao_ml_gaussprocess.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_ml_neuralnet.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_ml_neuralnet.F pao_ml_neuralnet.F90 -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:2153:34: - - 2153 | ALLOCATE (work_sp(lwork)) - | ^ -Warning: 'lwork' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:2116:40: - - 2116 | INTEGER :: nrows, ncols, handle, lwork, nrows_local, ncols_local - | ^~~~~ -note: 'lwork' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_scf.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_fock.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_fock.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_neuralnet.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml_neuralnet.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_gaussprocess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml_gaussprocess.F90 -/build/reproducible-path/cp2k-2025.1/src/pao_input.F:235:31: - - 235 | s = "GAUSSIAN_PROCESS" - | 1 -Warning: CHARACTER expression will be truncated in assignment (11/16) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/pao_input.F:237:29: - - 237 | s = "NEURAL_NETWORK" - | 1 -Warning: CHARACTER expression will be truncated in assignment (11/14) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1444:72: - - 1444 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1))) - | ^ -Warning: 'strlen1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1303:70: - - 1303 | INTEGER :: irep, l, strlen1, strlen2 - | ^~~~~~~ -note: 'strlen1' was declared here -/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1444:72: - - 1444 | " for element symbol: "//TRIM(ADJUSTL(symbol2(:strlen1))) - | ^ -Warning: 'strlen2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1303:79: - - 1303 | INTEGER :: irep, l, strlen1, strlen2 - | ^~~~~~~ -note: 'strlen2' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_compression_core_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a hfx_compression_core_methods.o hfx_contraction_methods.o hfx_contract_block.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2khfxbase.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_basic_linalg.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_basic_linalg.F cp_cfm_basic_linalg.F90 -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:1712:45: - - 1712 | IF (PRESENT(det_a)) det_a = determinant - | ^ -Warning: 'determinant' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:1553:51: - - 1553 | REAL(KIND=dp) :: determinant, my_eps_svd - | ^~~~~~~~~~~ -note: 'determinant' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_diis_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_diis_types.F qs_diis_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_green_cache.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_green_cache.F negf_green_cache.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_mm.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_types.F dbt_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_test.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_test.F dbt_tas_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:37 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_cache.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_green_cache.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:37 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_diis_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:37 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_basic_linalg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_basic_linalg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:37 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:37 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_test.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_basis_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_ml_gaussprocess.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' atomic_kind_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_unittest.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_input.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_dlaf_api.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_ls.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_ls.F input_cp2k_ls.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_ml_gaussprocess.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_optimizer.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_optimizer.F pao_optimizer.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_cholesky.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_cholesky.F cp_cfm_cholesky.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_basic_linalg.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:38 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_optimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:38 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ls.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_ls.F90 -/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_basic_linalg.F:190:4: - - 190 | SUBROUTINE cp_cfm_schur_product_cc(matrix_a, matrix_b, matrix_c) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'cp_cfm_schur_product_cc' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_green_cache.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ls.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_ls.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_grids.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_cholesky.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_cholesky.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'parallel_gemm_api.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/parallel_gemm_api.F parallel_gemm_api.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_integr_simpson.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_integr_simpson.F negf_integr_simpson.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_integr_cc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F negf_integr_cc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_dlaf_api.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_dlaf_api.F cp_fm_dlaf_api.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_elpa.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_elpa.F cp_fm_elpa.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_operations.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_operations.F cp_dbcsr_operations.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_optimization.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_optimization.F atom_optimization.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"parallel_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' parallel_gemm_api.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_ml_neuralnet.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_types.F pw_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_diis_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:38 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_ml_neuralnet.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_simpson.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_integr_simpson.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atomic_kind_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_cc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_integr_cc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_dlaf_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_dlaf_api.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'particle_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/particle_types.F particle_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atomic_kind_list_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/atomic_kind_list_types.F atomic_kind_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_elpa.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_elpa.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_nonbond_env_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_nonbond_env_types.F fist_nonbond_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_operations.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_operations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_optimization.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_optimization.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_force_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_force_types.F qs_force_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pair_potential.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pair_potential.F pair_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' particle_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' atomic_kind_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_force_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_nonbond_env_types.F90 +/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:162: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dbt_tas_unittest.psmp' due to: target does not exist +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dbt_tas_unittest.psmp dbt_tas_unittest.o -lcp2ktas -lcp2kdbx -lcp2kdbm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_cholesky.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/pao_optimizer.F:197:13: @@ -5458,171 +5560,30 @@ 174 | REAL(KIND=dp) :: beta, change, trace_D, trace_D_Gnew, & | ^~~~ note: 'beta' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_optimizer.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_copy_all.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_copy_all.F pw_copy_all.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_gpu.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_gpu.F pw_gpu.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dct.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dct.F dct.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'realspace_grid_cube.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/realspace_grid_cube.F realspace_grid_cube.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hirshfeld_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hirshfeld_types.F hirshfeld_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho0_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho0_types.F qs_rho0_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_ls.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_b97_fxc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_b97_fxc.F xc_b97_fxc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tip_scan_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tip_scan_types.F tip_scan_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:39 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_copy_all.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_copy_all.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_test.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a" -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:39 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_gpu.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_gpu.F90 -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a dbt_tas_types.o dbt_tas_util.o dbt_tas_test.o dbt_tas_io.o dbt_tas_global.o dbt_tas_base.o dbt_tas_split.o dbt_tas_reshape_ops.o dbt_tas_mm.o -ar: /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_tas_unittest.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_unittest.F dbt_tas_unittest.F90 -creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:39 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' realspace_grid_cube.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:39 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dct.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dct.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:39 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho0_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:39 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hirshfeld_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:39 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97_fxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_b97_fxc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_basic_linalg.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:39 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' tip_scan_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_dlaf_api.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_dlaf_api.F cp_cfm_dlaf_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:39 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/tas/dbt_tas_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/tas/' dbt_tas_unittest.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:39 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_dlaf_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_dlaf_api.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hirshfeld_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_cdft_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_cdft_types.F qs_cdft_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'external_potential_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atomic_kind_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/atomic_kind_types.F atomic_kind_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:39 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:39 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' atomic_kind_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_copy_all.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_dlaf_api.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_cholesky.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_cholesky.F cp_cfm_cholesky.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_b97_fxc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tip_scan_types.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:39 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_cholesky.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_cholesky.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_basic_linalg.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_dlaf_api.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_dlaf_api.F cp_fm_dlaf_api.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_elpa.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_elpa.F cp_fm_elpa.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_operations.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_operations.F cp_dbcsr_operations.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'parallel_gemm_api.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/parallel_gemm_api.F parallel_gemm_api.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_integr_cc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F negf_integr_cc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_integr_simpson.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_integr_simpson.F negf_integr_simpson.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atomic_kind_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_cholesky.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_nonbond_env_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_nonbond_env_types.F fist_nonbond_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_dlaf_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_dlaf_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_elpa.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_elpa.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_force_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_force_types.F qs_force_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pair_potential.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pair_potential.F pair_potential.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'iterate_matrix.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'particle_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/particle_types.F particle_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_operations.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_operations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"parallel_gemm_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' parallel_gemm_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_cc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_integr_cc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atomic_kind_list_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/atomic_kind_list_types.F atomic_kind_list_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_curvy.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_curvy.F dm_ls_scf_curvy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_nonbond_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_integr_simpson.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_integr_simpson.F90 -/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:158: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dbt_tas_unittest.psmp' due to: target does not exist -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dbt_tas_unittest.psmp dbt_tas_unittest.o -lcp2ktas -lcp2kdbx -lcp2kdbm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_types.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_force_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_optimization.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_optimization.F atom_optimization.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' particle_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/atomic_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' atomic_kind_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_curvy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_curvy.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_dlaf_api.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_optimization.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_optimization.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_cholesky.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_cholesky.F cp_fm_cholesky.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_cdft_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'parallel_gemm_api.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_control_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_control_types.F cp_control_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atomic_kind_list_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'parallel_gemm_api.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cholesky.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_cholesky.F90 -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:451:59: - - 451 | ALLOCATE (srcs_expand_all(maxn_sendrecv, group_size)) - | ^ -Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:269:61: - - 269 | maxn_sendrecv, rs_dim1, rs_dim2, & - | ^~~~~~~~~~~~~ -note: 'maxn_sendrecv' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_cholesky.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_cholesky.F cp_fm_cholesky.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_lattice_summation.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'matrix_exp.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/matrix_exp.F matrix_exp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_green_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_green_methods.F negf_green_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_control_types.F90 -/build/reproducible-path/cp2k-2025.1/src/pw/realspace_grid_cube.F:778:65: - - 778 | IF (MODULO(counter, num_entries_line) == 0 .OR. k == last_z) & - | ^ -Warning: 'last_z' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/realspace_grid_cube.F:648:87: - - 648 | INTEGER :: counter, i, islice, j, k, last_z, & - | ^~~~~~ -note: 'last_z' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho0_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_grids.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_green_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' matrix_exp.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_fock.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_optimizer.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_nonbond_env_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_types.F pw_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'particle_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_tersoff.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_tersoff.F manybody_tersoff.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_cholesky.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_cholesky.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'multipole_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/multipole_types.F multipole_types.F90 /build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:398:57: 398 | ALLOCATE (zdata_tmp(nnodes_half + nnodes_exist)) @@ -5633,114 +5594,99 @@ 342 | nnodes_half, nnodes_next | ^~~~~~~~~~~ note: 'nnodes_half' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_tersoff.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_tersoff.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_cholesky.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_apply.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_apply.F preconditioner_apply.F90 -/build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:284:41: - - 284 | ALLOCATE (xnodes_next(nnodes_next)) - | ^ -Warning: 'nnodes_next' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:258:74: - - 258 | nnodes_half, nnodes_next - | ^~~~~~~~~~~ -note: 'nnodes_next' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_green_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'particle_types.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_apply.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_apply.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"matrix_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' matrix_exp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'colvar_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F colvar_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'multipole_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/multipole_types.F multipole_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'particle_list_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/particle_list_types.F particle_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_green_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_green_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_types.F qs_loc_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rmsd.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rmsd.F rmsd.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_neighbor_lists.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_neighbor_lists.F fist_neighbor_lists.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_symmetry.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_symmetry.F cp_symmetry.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/multipole_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' multipole_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/colvar_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' colvar_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' particle_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_types.F90 +/build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:284:41: + + 284 | ALLOCATE (xnodes_next(nnodes_next)) + | ^ +Warning: 'nnodes_next' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:258:74: + + 258 | nnodes_half, nnodes_next + | ^~~~~~~~~~~ +note: 'nnodes_next' declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rmsd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rmsd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_neighbor_lists.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_symmetry.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_symmetry.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_nonbond_env_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_eam.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_eam.F manybody_eam.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_allegro.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_allegro.F manybody_allegro.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/multipole_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' multipole_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_deepmd.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_deepmd.F manybody_deepmd.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/colvar_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' colvar_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_gal.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_gal.F manybody_gal.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_gal21.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_gal21.F manybody_gal21.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/particle_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' particle_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_nequip.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F manybody_nequip.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_quip.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_quip.F manybody_quip.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rmsd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rmsd.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_neighbor_lists.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_siepmann.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_siepmann.F manybody_siepmann.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'realspace_grid_cube.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_tersoff.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_tersoff.F manybody_tersoff.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_ls.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_symmetry.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_symmetry.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_eam.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_eam.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_integr_cc.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_fock.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_deepmd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_deepmd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_eam.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_eam.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_allegro.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_allegro.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_gal.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal21.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_gal21.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_nequip.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_nequip.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_elpa.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_allegro.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_allegro.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_deepmd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_deepmd.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_optimization.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_quip.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_quip.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_siepmann.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_siepmann.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_tersoff.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_tersoff.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_integr_cc.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_integr_simpson.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_cholesky.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_fm_diag.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_diag.F cp_fm_diag.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_gal.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_gal21.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_gal21.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_quip.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_quip.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_nequip.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_nequip.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_siepmann.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_siepmann.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_diag.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_apply.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_apply.F preconditioner_apply.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'particle_list_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_optimization.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_environment_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_environment_utils.F mixed_environment_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_restarts_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_restarts_util.F input_cp2k_restarts_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_realspace_grid_cube.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_realspace_grid_cube.F cp_realspace_grid_cube.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:24 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_lattice_summation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_lattice_summation.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_integr_simpson.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_environment_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_restarts_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_restarts_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_realspace_grid_cube.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'multipole_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_green_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:1090:46: - - 1090 | ALLOCATE (pcs_bnds(2, 3, maxn_sendrecv)) - | ^ -Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:1046:75: - - 1046 | lb3_new, loc, maxn_sendrecv, rs_mpo, & - | ^~~~~~~~~~~~~ -note: 'maxn_sendrecv' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_fm_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_fm_diag.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_restarts_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_restarts_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_apply.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_apply.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_environment_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_quip.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf_curvy.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_apply.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1003:90: 1003 | REAL(KIND=dp) :: hicut0, l_epsilon, l_sigma6, m_epsilon, & @@ -5761,6 +5707,14 @@ 1004 | m_sigma6, min_sigma6, rcovi, rcovj | ^~~~~~~~~~ note: 'min_sigma6' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'multipole_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'basis_set_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'soft_basis_set.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/soft_basis_set.F soft_basis_set.F90 /build/reproducible-path/cp2k-2025.1/src/manybody_deepmd.F:132:91: 132 | deepmd_data%model = deepmd_model_load(filename=pot%set(1)%deepmd%deepmd_file_name) @@ -5771,32 +5725,14 @@ 74 | TYPE(pair_potential_single_type), POINTER :: pot | ^~~ note: 'pot' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_control_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_dm_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_dm_types.F admm_dm_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_symmetry.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'maxwell_solver_interface.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/maxwell_solver_interface.F maxwell_solver_interface.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_realspace_grid_cube.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_restarts_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_tersoff.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:42 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_dm_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rmsd.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:42 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"maxwell_solver_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' maxwell_solver_interface.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_deepmd.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_eam.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_environment_utils.mod' due to: target does not exist -true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'basis_set_container_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_container_types.F basis_set_container_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'paw_basis_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/paw_basis_types.F paw_basis_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'aux_basis_set.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/aux_basis_set.F aux_basis_set.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_o3c_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_o3c_types.F qs_o3c_types.F90 /build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:1021:34: 1021 | np = n_oxygens + n_hydrogens @@ -5849,6 +5785,21 @@ | ^~~~~~~~~ Warning: 'i_oxygens.offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:1004:74: Warning: 'i_oxygens.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_set_basis.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_set_basis.F atom_set_basis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_utils.F atom_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gapw_1c_basis_set.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gapw_1c_basis_set.F gapw_1c_basis_set.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/soft_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' soft_basis_set.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_container_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' basis_set_container_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_harmonics_atom.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_harmonics_atom.F qs_harmonics_atom.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rmsd.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/paw_basis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' paw_basis_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_restarts_util.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/manybody_allegro.F:294:88: 294 | CALL torch_model_load(allegro_data%model, pot%set(1)%allegro%allegro_file_name) @@ -5869,6 +5820,21 @@ 245 | INTEGER :: atom_a, atom_b, atom_idx, handle, i, iat, iat_use, iend, ifirst, igrp, ikind, & | ^~~~~~~~ note: 'atom_idx' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_o3c_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_symmetry.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/aux_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' aux_basis_set.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_eam.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_set_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_set_basis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_tersoff.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'generic_shg_integrals.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_int/generic_shg_integrals.F generic_shg_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gapw_1c_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gapw_1c_basis_set.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'generic_shg_integrals_init.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_int/generic_shg_integrals_init.F generic_shg_integrals_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_utils.F90 /build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:1096:57: 1096 | np = n_oxygens_water + n_oxygens_acid + n_hydrogens @@ -5947,10 +5913,71 @@ | ^~~~~~~~~~~~~~~ Warning: 'i_oxygens_water.offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:1075:61: Warning: 'i_oxygens_water.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'maxwell_solver_interface.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harmonics_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_harmonics_atom.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'generic_os_integrals.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/generic_os_integrals.F generic_os_integrals.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_optimize_ri_basis_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_optimize_ri_basis_types.F lri_optimize_ri_basis_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_dm_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_environment_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_deepmd.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_b97_fxc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_b97_fxc.F xc_b97_fxc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tip_scan_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tip_scan_types.F tip_scan_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' generic_shg_integrals_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"generic_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' generic_os_integrals.F90 +/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_container_types.F:205:10: + + 205 | IF (ibas /= 0) THEN + | ^ +Warning: 'ibas' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_container_types.F:186:74: + + 186 | INTEGER :: basis_nr, i, ibas + | ^~~~ +note: 'ibas' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_copy_all.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_copy_all.F pw_copy_all.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' generic_shg_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_optimize_ri_basis_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_gpu.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_gpu.F pw_gpu.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97_fxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_b97_fxc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dct.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dct.F dct.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' tip_scan_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'realspace_grid_cube.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/realspace_grid_cube.F realspace_grid_cube.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_copy_all.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_copy_all.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hirshfeld_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hirshfeld_types.F hirshfeld_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_gpu.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_gpu.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho0_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho0_types.F qs_rho0_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'paw_basis_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_apply.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/gapw_1c_basis_set.F:137:41: + + 137 | rr = LOG(zmall/0.05_dp)/LOG(fr1) + | ^ +Warning: 'fr1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/gapw_1c_basis_set.F:59:67: + + 59 | REAL(KIND=dp) :: fmin, fr1, fr2, fz, rr, xz, yz, zmall, & + | ^~~ +note: 'fr1' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'basis_set_container_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dct.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dct.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' realspace_grid_cube.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho0_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hirshfeld_types.F90 /build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F:274:85: 274 | CALL torch_model_load(nequip_data%model, pot%set(1)%nequip%nequip_file_name) @@ -5971,66 +5998,6 @@ 223 | INTEGER :: atom_a, atom_b, atom_idx, handle, i, iat, iat_use, iend, ifirst, igrp, ikind, & | ^~~~~~~~ note: 'atom_idx' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'basis_set_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'paw_basis_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/paw_basis_types.F paw_basis_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'aux_basis_set.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/aux_basis_set.F aux_basis_set.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'basis_set_container_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_container_types.F basis_set_container_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'soft_basis_set.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/aobasis/soft_basis_set.F soft_basis_set.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_o3c_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_o3c_types.F qs_o3c_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'paw_proj_set_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/paw_proj_set_types.F paw_proj_set_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_set_basis.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_set_basis.F atom_set_basis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_utils.F atom_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/paw_basis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' paw_basis_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gapw_1c_basis_set.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gapw_1c_basis_set.F gapw_1c_basis_set.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/aux_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' aux_basis_set.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_harmonics_atom.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_harmonics_atom.F qs_harmonics_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/soft_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' soft_basis_set.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_parameters.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_parameters.F xtb_parameters.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"aobasis/basis_set_container_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/aobasis/' basis_set_container_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_o3c_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'generic_shg_integrals.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_int/generic_shg_integrals.F generic_shg_integrals.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'generic_shg_integrals_init.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_int/generic_shg_integrals_init.F generic_shg_integrals_init.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'generic_os_integrals.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/generic_os_integrals.F generic_os_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"paw_proj_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' paw_proj_set_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_optimize_ri_basis_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_optimize_ri_basis_types.F lri_optimize_ri_basis_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_set_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_set_basis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_gpu.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_operations.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gapw_1c_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gapw_1c_basis_set.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harmonics_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_harmonics_atom.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_methods.F pw_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_transitional.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_transitional.F kpoint_transitional.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_parameters.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_parameters.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mo_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mo_types.F qs_mo_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' generic_shg_integrals_init.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_period_efield_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_period_efield_types.F qs_period_efield_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"generic_os_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' generic_os_integrals.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot_types.F qs_ot_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_int/generic_shg_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/shg_int/' generic_shg_integrals.F90 /build/reproducible-path/cp2k-2025.1/src/manybody_gal.F:169:126: 169 | - gal%bxy*drji2*sinalpha*sinalpha)) @@ -6061,92 +6028,11 @@ 75 | VTT, weight | ^~~~~~ note: 'weight' was declared here -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:556:67: - - 556 | ALLOCATE (recv_reqs(maxn_sendrecv), send_reqs(maxn_sendrecv)) - | ^ -Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:527:33: - - 527 | lb3_loc, lb3_new, loc, maxn_sendrecv, rs_mpo, ub1, ub1_loc, ub1_new, ub2, ub2_loc, & - | ^~~~~~~~~~~~~ -note: 'maxn_sendrecv' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_cholesky.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_cholesky.F cp_dbcsr_cholesky.F90 -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:526:41: - - 526 | INTEGER :: group_size, handle, i, ind, lb1, lb1_loc, lb1_new, lb2, lb2_loc, lb2_new, lb3, & - | ^~~ -Warning: 'ind' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_optimize_ri_basis_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_solvers.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_solvers.F preconditioner_solvers.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_transitional.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_transitional.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'soc_pseudopotential_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/soc_pseudopotential_utils.F soc_pseudopotential_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_diag.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_period_efield_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_period_efield_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_siepmann.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_types.F90 -/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_container_types.F:205:10: - - 205 | IF (ibas /= 0) THEN - | ^ -Warning: 'ibas' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/aobasis/basis_set_container_types.F:186:74: - - 186 | INTEGER :: basis_nr, i, ibas - | ^~~~ -note: 'ibas' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_condnum.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_condnum.F qs_condnum.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cholesky.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_cholesky.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_makes.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_makes.F preconditioner_makes.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_solvers.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_solvers.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_sigma_functional.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_sigma_functional.F rpa_sigma_functional.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"soc_pseudopotential_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' soc_pseudopotential_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_diag.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_diag.F cp_cfm_diag.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_condnum.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_condnum.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'basis_set_container_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_allegro.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_gal.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:976:38: - - 976 | colvar%i_atom(i) = list(i) - | ^ -Warning: 'list.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:505:61: - - 505 | INTEGER, DIMENSION(:), POINTER :: list - | ^~~~ -note: 'list.data' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'paw_basis_types.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_makes.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_makes.F90 -/build/reproducible-path/cp2k-2025.1/src/gapw_1c_basis_set.F:137:41: - - 137 | rr = LOG(zmall/0.05_dp)/LOG(fr1) - | ^ -Warning: 'fr1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/gapw_1c_basis_set.F:59:67: +/build/reproducible-path/cp2k-2025.1/src/atom_utils.F:983:3: - 59 | REAL(KIND=dp) :: fmin, fr1, fr2, fz, rr, xz, yz, zmall, & - | ^~~ -note: 'fr1' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_diag.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_sigma_functional.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_sigma_functional.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_period_efield_types.mod' due to: target does not exist -true + 983 | FUNCTION prune_grid(fun, deps) RESULT(nc) + | ^ +Warning: 'prune_grid' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/src/qs_o3c_types.F:160:32: 160 | ALLOCATE (o3c%ijpair(nij)) @@ -6217,86 +6103,309 @@ 160 | ALLOCATE (o3c%ijpair(nij)) | ^ note: 'o3c_pair_type.49' declared here -/build/reproducible-path/cp2k-2025.1/src/atom_utils.F:983:3: - - 983 | FUNCTION prune_grid(fun, deps) RESULT(nc) - | ^ -Warning: 'prune_grid' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/matrix_exp.F:514:89: +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'iterate_matrix.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_curvy.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_curvy.F dm_ls_scf_curvy.F90 +/build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:976:38: - 514 | Npq%local_data(:, k) = Npq%local_data(:, k) + scaleN*Tres%local_data(:, k) - | ^ -Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/matrix_exp.F:454:69: + 976 | colvar%i_atom(i) = list(i) + | ^ +Warning: 'list.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:505:61: - 454 | COMPLEX(KIND=dp) :: scaleD, scaleN - | ^~~~~~ -note: 'REALPART_EXPR ' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_transitional.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_gal21.mod' due to: target does not exist + 505 | INTEGER, DIMENSION(:), POINTER :: list + | ^~~~ +note: 'list.data' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_b97_fxc.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gapw_1c_basis_set.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_curvy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_curvy.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_o3c_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'soft_basis_set.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_o3c_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_gal.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_environment_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_environment_types.F lri_environment_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_o3c_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_o3c_methods.F qs_o3c_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gapw_1c_basis_set.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_siepmann.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_o3c_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_operations.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hirshfeld_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_set_basis.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_transitional.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_transitional.F kpoint_transitional.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mo_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mo_types.F qs_mo_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_period_efield_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_period_efield_types.F qs_period_efield_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot_types.F qs_ot_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pair_potential.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_cholesky.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_cholesky.F cp_dbcsr_cholesky.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_solvers.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_solvers.F preconditioner_solvers.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_transitional.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_transitional.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'aux_basis_set.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_period_efield_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_period_efield_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_optimize_ri_basis_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:44 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:44 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_o3c_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_o3c_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'soc_pseudopotential_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/soc_pseudopotential_utils.F soc_pseudopotential_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tip_scan_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_copy_all.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cholesky.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_cholesky.F90 /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a paw_basis_types.o ai_operators_r12.o aux_basis_set.o ao_util.o ai_derivatives.o ai_overlap3_debug.o orbital_pointers.o ai_operator_ra2m.o ai_contraction.o orbital_transformation_matrices.o ai_fermi_contact.o ai_coulomb.o ai_eri_debug.o ai_overlap_ppl.o ai_coulomb_test.o basis_set_container_types.o ai_contraction_sphi.o ai_oneelectron.o ai_kinetic.o ai_os_rr.o ai_onecenter.o basis_set_types.o ai_overlap_aabb.o ai_overlap.o sto_ng.o orbital_symbols.o ai_moments.o ai_overlap_debug.o ai_overlap3.o ai_elec_field.o ai_spin_orbit.o soft_basis_set.o ai_verfc.o ai_angmom.o -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'aux_basis_set.mod' due to: target does not exist -true +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a soft_basis_set.o ai_overlap3_debug.o orbital_symbols.o orbital_transformation_matrices.o ai_operator_ra2m.o ai_operators_r12.o ai_eri_debug.o ai_angmom.o ai_overlap_debug.o ai_oneelectron.o basis_set_types.o ai_spin_orbit.o basis_set_container_types.o ai_moments.o ai_os_rr.o paw_basis_types.o ai_derivatives.o ai_elec_field.o orbital_pointers.o aux_basis_set.o ai_coulomb.o ai_contraction.o ai_overlap_aabb.o ai_verfc.o ai_overlap.o ao_util.o ai_kinetic.o ai_coulomb_test.o sto_ng.o ai_fermi_contact.o ai_overlap_ppl.o ai_overlap3.o ai_onecenter.o ai_contraction_sphi.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_set_basis.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_environment_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_environment_types.F lri_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_solvers.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_solvers.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"soc_pseudopotential_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' soc_pseudopotential_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_cdft_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_cdft_types.F qs_cdft_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_harmonics_atom.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_allegro.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_soc_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_soc_types.F qs_tddfpt2_soc_types.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:451:59: + + 451 | ALLOCATE (srcs_expand_all(maxn_sendrecv, group_size)) + | ^ +Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:269:61: + + 269 | maxn_sendrecv, rs_dim1, rs_dim2, & + | ^~~~~~~~~~~~~ +note: 'maxn_sendrecv' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho0_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_neighbor_lists.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pair_potential.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_gal21.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_cholesky.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/atom_utils.F:1724:74: + + 1724 | assoc_laguerre(z, REAL(nu, KIND=dp) + 0.5_dp, i - 1) + | ^ +Warning: 'res' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_utils.F:1786:57: + + 1786 | ELEMENTAL FUNCTION assoc_laguerre(z, a, n) RESULT(res) + | ^ +note: 'res' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_local_rho_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_local_rho_types.F qs_local_rho_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_transitional.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mo_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_soc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_rho_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_local_rho_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_period_efield_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_solvers.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/matrix_exp.F:514:89: + + 514 | Npq%local_data(:, k) = Npq%local_data(:, k) + scaleN*Tres%local_data(:, k) + | ^ +Warning: 'REALPART_EXPR ' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/matrix_exp.F:454:69: + + 454 | COMPLEX(KIND=dp) :: scaleD, scaleN + | ^~~~~~ +note: 'REALPART_EXPR ' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'generic_shg_integrals_init.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 's_square_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/s_square_methods.F s_square_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/rpa_sigma_functional.F:223:67: +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_nequip.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_potential.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_potential.F manybody_potential.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/realspace_grid_cube.F:778:65: - 223 | INTEGER :: i, m, n - | ^ -Warning: 'n' may be used uninitialized [-Wmaybe-uninitialized] + 778 | IF (MODULO(counter, num_entries_line) == 0 .OR. k == last_z) & + | ^ +Warning: 'last_z' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/realspace_grid_cube.F:648:87: + + 648 | INTEGER :: counter, i, islice, j, k, last_z, & + | ^~~~~~ +note: 'last_z' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_fm_diag.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mo_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_condnum.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_condnum.F qs_condnum.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner_makes.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner_makes.F preconditioner_makes.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_methods.F qs_scf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:45 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"s_square_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' s_square_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_sigma_functional.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_sigma_functional.F rpa_sigma_functional.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_cfm_diag.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_diag.F cp_cfm_diag.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_matrix_pools.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_matrix_pools.F qs_matrix_pools.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:1090:46: + + 1090 | ALLOCATE (pcs_bnds(2, 3, maxn_sendrecv)) + | ^ +Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:1046:75: + + 1046 | lb3_new, loc, maxn_sendrecv, rs_mpo, & + | ^~~~~~~~~~~~~ +note: 'maxn_sendrecv' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_active_space_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_active_space_types.F qs_active_space_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_density_matrices.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_density_matrices.F qs_density_matrices.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_condnum.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_condnum.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner_makes.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner_makes.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_sigma_functional.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_sigma_functional.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fm/cp_cfm_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/fm/' cp_cfm_diag.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_pools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_matrix_pools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_density_matrices.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_active_space_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_cholesky.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F almo_scf_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_solvers.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'soc_pseudopotential_utils.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'matrix_exp.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_local_rho_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'exstates_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/exstates_types.F exstates_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exstates_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' exstates_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf_curvy.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'realspace_grid_cube.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_realspace_grid_cube.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_realspace_grid_cube.F cp_realspace_grid_cube.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_soc_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_cube.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_realspace_grid_cube.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_block.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_block.F dbt_block.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'scf_control_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/scf_control_types.F scf_control_types.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:556:67: + + 556 | ALLOCATE (recv_reqs(maxn_sendrecv), send_reqs(maxn_sendrecv)) + | ^ +Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:527:33: + + 527 | lb3_loc, lb3_new, loc, maxn_sendrecv, rs_mpo, ub1, ub1_loc, ub1_new, ub2, ub2_loc, & + | ^~~~~~~~~~~~~ +note: 'maxn_sendrecv' was declared here +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:526:41: + + 526 | INTEGER :: group_size, handle, i, ind, lb1, lb1_loc, lb1_new, lb2, lb2_loc, lb2_new, lb3, & + | ^~~ +Warning: 'ind' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a" -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_parameters.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_block.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_block.F90 Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a cp_fm_dlaf_api.o cp_cfm_dlaf_api.o cp_cfm_basic_linalg.o cp_fm_diag.o cp_fm_pool_types.o cp_dlaf_utils_api.o cp_fm_cusolver_api.o cp_fm_cholesky.o cp_blacs_env.o cp_cfm_cholesky.o cp_linked_list_fm.o cp_fm_elpa.o cp_fm_struct.o cp_cfm_diag.o cp_fm_diag_utils.o cp_blacs_types.o cp_cfm_types.o cp_fm_basic_linalg.o cp_fm_types.o cp_fm_cusolver.o +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_diag.mod' due to: target does not exist +true +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a cp_dlaf_utils_api.o cp_cfm_cholesky.o cp_fm_diag.o cp_blacs_env.o cp_cfm_basic_linalg.o cp_linked_list_fm.o cp_cfm_types.o cp_fm_cholesky.o cp_cfm_diag.o cp_fm_elpa.o cp_blacs_types.o cp_fm_pool_types.o cp_fm_cusolver_api.o cp_fm_struct.o cp_fm_types.o cp_fm_diag_utils.o cp_cfm_dlaf_api.o cp_fm_dlaf_api.o cp_fm_basic_linalg.o cp_fm_cusolver.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfm.a -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_matrix_pools.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_matrix_pools.F qs_matrix_pools.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:45 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:45 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:45 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_pools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_matrix_pools.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_active_space_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_active_space_types.F qs_active_space_types.F90 +/build/reproducible-path/cp2k-2025.1/src/rpa_sigma_functional.F:223:67: + + 223 | INTEGER :: i, m, n + | ^ +Warning: 'n' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' scf_control_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_diag.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_diag.F cp_dbcsr_diag.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_localization_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F qs_localization_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_gpu.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_cdft_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_methods.F pw_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_control_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_control_types.F cp_control_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_diag.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_localization_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_localization_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_sigma_functional.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'generic_os_integrals.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_control_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'exstates_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_active_space_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_active_space_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_active_space_utils.F qs_active_space_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_realspace_grid_cube.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_density_matrices.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_active_space_utils.F90 +/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:3034:4: + + 3034 | SUBROUTINE pseudo_matrix_power(A, Apow, power, N, range1, range1_thr, shift) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'pseudo_matrix_power' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_condnum.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_matrix_pools.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_types.F kpoint_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'colvar_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecule_kind_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/molecule_kind_types.F molecule_kind_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_colvar.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_colvar.F input_cp2k_colvar.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_types.F topology_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_methods.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_kind_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_colvar.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_makes.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/pw/dct.F:208:42: 208 | ALLOCATE (flipg_stat(maxn_sendrecv)) @@ -6337,15 +6446,7 @@ 177 | REAL(KIND=dp), DIMENSION(3) :: scfac | ^~~~~ note: 'scfac[2]' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_nequip.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_diag.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_density_matrices.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_density_matrices.F qs_density_matrices.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'generic_shg_integrals_init.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_harmonics_atom.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'scf_control_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/pw/dct.F:105:50: @@ -6357,93 +6458,74 @@ 90 | INTEGER :: handle, maxn_sendrecv | ^~~~~~~~~~~~~ note: 'maxn_sendrecv' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'manybody_potential.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/manybody_potential.F manybody_potential.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_diag.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_diag.F cp_dbcsr_diag.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_soc_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_soc_types.F qs_tddfpt2_soc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:45 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_active_space_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_local_rho_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_local_rho_types.F qs_local_rho_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_density_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_density_matrices.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"manybody_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' manybody_potential.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_condnum.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_diag.F90 -/build/reproducible-path/cp2k-2025.1/src/atom_utils.F:1724:74: - - 1724 | assoc_laguerre(z, REAL(nu, KIND=dp) + 0.5_dp, i - 1) - | ^ -Warning: 'res' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_utils.F:1786:57: - - 1786 | ELEMENTAL FUNCTION assoc_laguerre(z, a, n) RESULT(res) - | ^ -note: 'res' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_soc_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'scf_control_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/scf_control_types.F scf_control_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_sigma_functional.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_rho_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_local_rho_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'matrix_exp.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_localization_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F qs_localization_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dct.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scf_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' scf_control_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_localization_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_localization_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_makes.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_block.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_block.F dbt_block.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 's_square_methods.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:47 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_block.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_block.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_local_rho_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'exstates_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/exstates_types.F exstates_types.F90 -/build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:3034:4: - - 3034 | SUBROUTINE pseudo_matrix_power(A, Apow, power, N, range1, range1_thr, shift) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'pseudo_matrix_power' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:47 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"exstates_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' exstates_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_soc_types.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_diag.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ct_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ct_methods.F ct_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'generic_os_integrals.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_active_space_utils.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:47 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ct_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_density_matrices.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_o3c_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_matrix_pools.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dct.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_active_space_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ct_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ct_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atoms_input.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atoms_input.F atoms_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_binary_restarts.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_binary_restarts.F input_cp2k_binary_restarts.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_cp2k.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_cp2k.F topology_cp2k.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_gromos.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_gromos.F topology_gromos.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_input.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_input.F topology_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_multiple_unit_cell.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_multiple_unit_cell.F topology_multiple_unit_cell.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_pdb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_pdb.F topology_pdb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atoms_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atoms_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_xyz.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_xyz.F topology_xyz.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_cp2k.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_binary_restarts.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_binary_restarts.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_control_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'paw_proj_set_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/paw_proj_set_types.F paw_proj_set_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_parameters.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_parameters.F xtb_parameters.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_gromos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_gromos.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_dm_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_dm_types.F admm_dm_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_input.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rt_propagation_types.F rt_propagation_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_methods.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_multiple_unit_cell.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_multiple_unit_cell.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'maxwell_solver_interface.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/maxwell_solver_interface.F maxwell_solver_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_pdb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xyz.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_xyz.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 's_square_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/s_square_methods.F s_square_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_force_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_active_space_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_active_space_utils.F qs_active_space_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_types.F kpoint_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'scf_control_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"paw_proj_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' paw_proj_set_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_environment_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_parameters.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_parameters.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_compression.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_compression.F lri_compression.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_dm_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecule_kind_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:47 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rt_propagation_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:48 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_active_space_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:48 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rt_propagation_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_kp_to_real_space_and_back.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_kp_to_real_space_and_back.F gw_kp_to_real_space_and_back.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"maxwell_solver_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' maxwell_solver_interface.F90 /build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2941:16: 2941 | IF (use_ranges_only) THEN @@ -6480,27 +6562,67 @@ | ^~~~~ Warning: 'temp3.offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2816:75: Warning: 'temp3.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'colvar_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"s_square_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' s_square_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecule_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/molecule_types.F molecule_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecule_kind_list_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/molecule_kind_list_types.F molecule_kind_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_compression.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_compression.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_block.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecule_kind_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/molecule_kind_types.F molecule_kind_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_colvar.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_colvar.F input_cp2k_colvar.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_types.F topology_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'exstates_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_io.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_io.F dbt_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_kp_to_real_space_and_back.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_kp_to_real_space_and_back.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_reshape_ops.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_reshape_ops.F dbt_reshape_ops.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_kind_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_split.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_split.F dbt_split.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_reshape_ops.F90 +/build/reproducible-path/cp2k-2025.1/src/topology_pdb.F:317:63: + + 317 | my_local=.FALSE.) + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_split.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_split.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'maxwell_solver_interface.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_o3c_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecule_kind_list_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_force_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_multiple_unit_cell.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:48 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_kind_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:48 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_colvar.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_colvar.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:48 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'paw_proj_set_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_dm_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_active_space_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_cp2k.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_xyz.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/atoms_input.F:441:84: + + 441 | core_particle_set(sh_index)%r(:) = rc(:, ishell)*unit_conv_core + | ^ +Warning: 'unit_conv_core' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atoms_input.F:287:84: + + 287 | REAL(KIND=dp) :: dab, mass_com, rab(3), unit_conv_core, & + | ^~~~~~~~~~~~~~ +note: 'unit_conv_core' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_compression.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 's_square_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_pdb.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecule_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecule_list_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/molecule_list_types.F molecule_list_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_connectivity_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_connectivity_util.F topology_connectivity_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_intra_force.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_intra_force.F fist_intra_force.F90 /build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2695:68: 2695 | CALL dcopy(nstate*n1, gmat(1, 1), 1, rotmat(1, 1), 1) @@ -6531,110 +6653,32 @@ 2486 | INTEGER :: i, idim, ii, ik, il1, il2, il_recv, il_recv_partner, ilow1, ilow2, ip, ip_has_i, & | ^~~~~~~~ note: 'ip_has_i' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_environment_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_compression.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_compression.F lri_compression.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_compression.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_compression.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atoms_input.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atoms_input.F atoms_input.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_binary_restarts.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_binary_restarts.F input_cp2k_binary_restarts.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_cp2k.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_cp2k.F topology_cp2k.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_gromos.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_gromos.F topology_gromos.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_input.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_input.F topology_input.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_multiple_unit_cell.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_multiple_unit_cell.F topology_multiple_unit_cell.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_pdb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_pdb.F topology_pdb.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_xyz.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_xyz.F topology_xyz.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_kp_to_real_space_and_back.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_kp_to_real_space_and_back.F gw_kp_to_real_space_and_back.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_make_propagators.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_make_propagators.F rt_make_propagators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_binary_restarts.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_binary_restarts.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_cp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_gromos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_gromos.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atoms_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atoms_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_pdb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_pdb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_multiple_unit_cell.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_multiple_unit_cell.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xyz.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_xyz.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ct_methods.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_kp_to_real_space_and_back.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_kp_to_real_space_and_back.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_make_propagators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_make_propagators.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'generic_shg_integrals.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_molecules.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_molecules.F qs_loc_molecules.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermostat_mapping.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_mapping.F thermostat_mapping.F90 /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a" +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_list_types.F90 Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a construct_shg.o generic_shg_integrals.o s_contract_shg.o constants_operator.o generic_shg_integrals_init.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a s_contract_shg.o generic_shg_integrals_init.o construct_shg.o constants_operator.o generic_shg_integrals.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_integrals.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_integrals.F lri_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:50 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_integrals.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_compression.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecule_kind_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecule_kind_list_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/molecule_kind_list_types.F molecule_kind_list_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecule_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/molecule_types.F molecule_types.F90 -/build/reproducible-path/cp2k-2025.1/src/topology_pdb.F:317:63: - - 317 | my_local=.FALSE.) - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_block.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_connectivity_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_connectivity_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_kp_to_real_space_and_back.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:50 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_kind_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_kind_list_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_io.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_io.F dbt_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:50 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_reshape_ops.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_reshape_ops.F dbt_reshape_ops.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_split.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_split.F dbt_split.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:50 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:50 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_split.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_split.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:50 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_reshape_ops.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_reshape_ops.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_multiple_unit_cell.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_input.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_xyz.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_intra_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_intra_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_molecules.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_molecules.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:12:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_mapping.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_colvar.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/atoms_input.F:441:84: - - 441 | core_particle_set(sh_index)%r(:) = rc(:, ishell)*unit_conv_core - | ^ -Warning: 'unit_conv_core' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atoms_input.F:287:84: - - 287 | REAL(KIND=dp) :: dab, mass_com, rab(3), unit_conv_core, & - | ^~~~~~~~~~~~~~ -note: 'unit_conv_core' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_colvar.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_cp2k.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_pdb.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_kp_to_real_space_and_back.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecule_kind_list_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/topology_gromos.F:280:21: +/build/reproducible-path/cp2k-2025.1/src/topology_gromos.F:280:21: 280 | nsolute = natom | ^ @@ -6644,45 +6688,23 @@ 66 | itype, iw, jatom, natom, natom_prev, nbond, nbond_prev, ncon, nsolute, nsolvent, ntype, & | ^~~~~ note: 'natom' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atoms_input.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecule_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecule_list_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/molecule_list_types.F molecule_list_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermostat_mapping.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_mapping.F thermostat_mapping.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_connectivity_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_connectivity_util.F topology_connectivity_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_input.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/molecule_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' molecule_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_mapping.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_intra_force.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_intra_force.F fist_intra_force.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_molecules.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_molecules.F qs_loc_molecules.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_make_propagators.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_connectivity_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_connectivity_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_intra_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_intra_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_molecules.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_molecules.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_io.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_binary_restarts.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_potential.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_parameters.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_gromos.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atoms_input.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_reshape_ops.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_make_propagators.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_make_propagators.F rt_make_propagators.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecule_list_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_subsys_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/subsys/cp_subsys_types.F cp_subsys_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cp_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' cp_subsys_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_integrals.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_make_propagators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_make_propagators.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"subsys/cp_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/subsys/' cp_subsys_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_reshape_ops.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_loc_molecules.F:170:60: @@ -6694,6 +6716,8 @@ 51 | INTEGER :: counter, first_atom, i, iatom, ikind, imol, imol_now, istate, k, local_location, & | ^~~~~~~~ note: 'imol_now' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_binary_restarts.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_molecules.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_mapping.F:980:66: @@ -6726,24 +6750,18 @@ 551 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const | ^~~~~~~~~ note: 'MEM[(struct array01_integer(kind=4) &)&tot_const].dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_intra_force.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_gromos.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_make_propagators.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ct_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_mapping.F:502:22: - - 502 | const_mol = 0 - | ^ -Warning: 'MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_mapping.F:97:61: - - 97 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const - | ^~~~~~~~~ -note: 'MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_subsys_types.mod' due to: target does not exist true -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a molecule_kind_types.o colvar_types.o particle_types.o shell_potential_types.o cp_subsys_types.o particle_list_types.o multipole_types.o atomic_kind_list_types.o atomic_kind_types.o damping_dipole_types.o atprop_types.o molecule_types.o external_potential_types.o force_field_kind_types.o virial_types.o molecule_list_types.o molecule_kind_list_types.o cell_types.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a damping_dipole_types.o multipole_types.o particle_types.o molecule_types.o atomic_kind_list_types.o shell_potential_types.o external_potential_types.o molecule_kind_list_types.o virial_types.o atomic_kind_types.o cell_types.o atprop_types.o molecule_list_types.o cp_subsys_types.o molecule_kind_types.o colvar_types.o particle_list_types.o force_field_kind_types.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eip_environment_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eip_environment_types.F eip_environment_types.F90 @@ -6753,65 +6771,29 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ipi_environment_types.F ipi_environment_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_environment_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_environment_types.F nnp_environment_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dimer_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/dimer_types.F dimer_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermostat_mapping.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fp_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fp_methods.F fp_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'virial_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/virial_methods.F virial_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_methods.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eip_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' embed_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dimer_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'al_system_mapping.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_mapping.F al_system_mapping.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_mapping.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/csvr_system_mapping.F csvr_system_mapping.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fp_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dimer_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/dimer_types.F dimer_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eip_environment_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_control_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_control_types.F negf_control_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'extended_system_mapping.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/extended_system_mapping.F extended_system_mapping.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"virial_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' virial_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' csvr_system_mapping.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_control_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' al_system_mapping.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' extended_system_mapping.F90 -/build/reproducible-path/cp2k-2025.1/src/atom_utils.F:2264:34: - - 2264 | r1 = atom%basis%grid%rad(m1) - | ^ -Warning: 'm1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_utils.F:2222:65: - - 2222 | INTEGER :: m0, m1, m2, method, nr - | ^~ -note: 'm1' was declared here -/build/reproducible-path/cp2k-2025.1/src/atom_utils.F:2269:10: - - 2269 | IF (spinpol) THEN - | ^ -Warning: 'spinpol' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_utils.F:2223:67: - - 2223 | LOGICAL :: nlcc, spinpol - | ^~~~~~~ -note: 'spinpol' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_split.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' embed_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fp_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fp_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"virial_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' virial_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dimer_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_control_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_control_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_integrals.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_methods.F dbt_methods.F90 /build/reproducible-path/cp2k-2025.1/src/fp_methods.F:195:72: 195 | tmpstr = cp_iter_string(logger%iter_info, fp_env%print_section) | 1 Warning: CHARACTER expression will be truncated in assignment (15/80) at (1) [-Wcharacter-truncation] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_methods.F90 /build/reproducible-path/cp2k-2025.1/src/fp_methods.F:181:53: 181 | fp_env%bias_weight = EXP(fp_env%bias_energy/kT) @@ -6822,78 +6804,139 @@ 64 | REAL(KIND=dp) :: c, dcdr, kT, r, rab(3), sf, strength | ^~ note: 'kt' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ipi_environment_types.mod' due to: target does not exist -true +/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_mapping.F:502:22: + + 502 | const_mol = 0 + | ^ +Warning: 'MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_mapping.F:97:61: + + 97 | INTEGER, DIMENSION(:), POINTER :: const_mol, tot_const + | ^~~~~~~~~ +note: 'MEM[(struct array01_integer(kind=4) &)&const_mol].dim[0].ubound' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fp_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'al_system_mapping.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_mapping.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dimer_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'al_system_init.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_init.F al_system_init.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_init.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/csvr_system_init.F csvr_system_init.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dimer_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/dimer_utils.F dimer_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' csvr_system_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dimer_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' al_system_init.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eip_environment_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'virial_methods.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eip_silicon.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eip_silicon.F eip_silicon.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_silicon.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eip_silicon.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'embed_types.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_silicon.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eip_silicon.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_potential.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ipi_environment_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_sgp.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_sgp.F atom_sgp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_sgp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_sgp.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'extended_system_mapping.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_intra_force.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_connectivity_util.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermostat_mapping.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'al_system_init.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'extended_system_mapping.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/extended_system_mapping.F extended_system_mapping.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'al_system_mapping.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_mapping.F al_system_mapping.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_mapping.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/csvr_system_mapping.F csvr_system_mapping.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'embed_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_init.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dimer_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_control_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dimer_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/dimer_utils.F dimer_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' extended_system_mapping.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' al_system_mapping.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_mapping.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' csvr_system_mapping.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dimer_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'virial_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'nnp_environment_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dimer_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_types.F helium_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_acsf.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_acsf.F nnp_acsf.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_model.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_model.F nnp_model.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_types.F helium_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dimer_utils.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_acsf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_acsf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_model.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_model.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'al_system_mapping.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_control_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'al_system_init.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_init.F al_system_init.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_subgroup_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_subgroup_types.F negf_subgroup_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_subgroup_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_subgroup_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_acsf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_acsf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:55:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_model.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_model.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'paw_proj_set_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_mapping.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_init.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/csvr_system_init.F csvr_system_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_subgroup_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_subgroup_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' al_system_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' csvr_system_init.F90 /build/reproducible-path/cp2k-2025.1/src/motion/helium_types.F:391:4: 391 | SUBROUTINE helium_destroy_real_arr_ptr(real_arr_p) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'helium_destroy_real_arr_ptr' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_methods.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'extended_system_mapping.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_init.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_subgroup_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_localization_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_split.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_methods.F dbt_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'al_system_init.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/atom_utils.F:2264:34: + + 2264 | r1 = atom%basis%grid%rad(m1) + | ^ +Warning: 'm1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_utils.F:2222:65: + + 2222 | INTEGER :: m0, m1, m2, method, nr + | ^~ +note: 'm1' was declared here +/build/reproducible-path/cp2k-2025.1/src/atom_utils.F:2269:10: + + 2269 | IF (spinpol) THEN + | ^ +Warning: 'spinpol' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_utils.F:2223:67: + + 2223 | LOGICAL :: nlcc, spinpol + | ^~~~~~~ +note: 'spinpol' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'nnp_model.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_connectivity_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_sgp.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_sgp.F atom_sgp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_sgp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_sgp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eip_silicon.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'nnp_acsf.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_force.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_force.F nnp_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_force.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_localization_methods.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/atom_sgp.F:561:13: 561 | IF (nl_trans) THEN @@ -6904,8 +6947,28 @@ 462 | LOGICAL :: nl_trans | ^~~~~~~~ note: 'nl_trans' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eip_silicon.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'nnp_force.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/dbt/dbt_methods.F:950:57: + + 950 | split = dbt_tas_info(tensor_large%matrix_rep) + | ^ +Warning: 'tensor_large' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/dbt/dbt_methods.F:605:67: + + 605 | TYPE(dbt_type), POINTER :: tensor_small, tensor_large + | ^~~~~~~~~~~~ +note: 'tensor_large' was declared here +/build/reproducible-path/cp2k-2025.1/src/dbt/dbt_methods.F:1003:24: + + 1003 | IF (new_3 .AND. do_write_3) CALL dbt_write_tensor_info(tensor_3, unit_nr_prv, full_info=log_verbose) + | ^ +Warning: 'do_write_3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/dbt/dbt_methods.F:630:79: + + 630 | LOGICAL :: do_crop_1, do_crop_2, do_write_3, nodata_3, do_batched, pgrid_changed, & + | ^~~~~~~~~~ +note: 'do_write_3' was declared here /build/reproducible-path/cp2k-2025.1/src/atom_sgp.F:246:10: 246 | IF (do_transform) THEN @@ -6956,66 +7019,39 @@ 89 | REAL(KIND=dp) :: errcc, rcut | ^~~~~ note: 'errcc' was declared here -/build/reproducible-path/cp2k-2025.1/src/dbt/dbt_methods.F:950:57: - - 950 | split = dbt_tas_info(tensor_large%matrix_rep) - | ^ -Warning: 'tensor_large' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/dbt/dbt_methods.F:605:67: - - 605 | TYPE(dbt_type), POINTER :: tensor_small, tensor_large - | ^~~~~~~~~~~~ -note: 'tensor_large' was declared here -/build/reproducible-path/cp2k-2025.1/src/dbt/dbt_methods.F:1003:24: - - 1003 | IF (new_3 .AND. do_write_3) CALL dbt_write_tensor_info(tensor_3, unit_nr_prv, full_info=log_verbose) - | ^ -Warning: 'do_write_3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/dbt/dbt_methods.F:630:79: - - 630 | LOGICAL :: do_crop_1, do_crop_2, do_write_3, nodata_3, do_batched, pgrid_changed, & - | ^~~~~~~~~~ -note: 'do_write_3' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'nnp_acsf.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_force.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_force.F nnp_force.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_sgp.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:02 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_force.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_test.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_test.F dbt_test.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'nnp_force.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_test.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_test.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'realspace_grid_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/realspace_grid_types.F realspace_grid_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:07 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' realspace_grid_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/realspace_grid_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' realspace_grid_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_test.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_unittest.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_unittest.F dbt_unittest.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dbt_api.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dbt/dbt_api.F dbt_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_unittest.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dbt/dbt_unittest.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/dbt/' dbt_unittest.F90 /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a" /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_api.mod' due to: target does not exist true Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a dbt_allocate_wrap.o dbt_io.o dbt_split.o dbt_methods.o dbt_reshape_ops.o dbt_test.o dbt_index.o dbt_block.o dbt_array_list_methods.o dbt_api.o dbt_types.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a dbt_index.o dbt_split.o dbt_io.o dbt_test.o dbt_reshape_ops.o dbt_methods.o dbt_block.o dbt_array_list_methods.o dbt_allocate_wrap.o dbt_api.o dbt_types.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tensors_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F qs_tensors_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_types.F xas_tdp_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tensors_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tensors_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_types.F90 /build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F:219:13: 219 | IF (dist1_prv(iatom, 1) == mp_coor(1)) nparticle_local_row(ikind) = nparticle_local_row(ikind) + 1 @@ -7042,14 +7078,14 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_types.F post_scf_bandstructure_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_gw_ic.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_gw_ic.F rpa_gw_ic.F90 -/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:162: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dbt_unittest.psmp' due to: target does not exist -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dbt_unittest.psmp dbt_unittest.o -lcp2kdbt -lcp2ktas -lcp2kdbx -lcp2kdbm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' post_scf_bandstructure_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_ic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_ic.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'realspace_grid_types.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' post_scf_bandstructure_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_ic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_ic.F90 +/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:158: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dbt_unittest.psmp' due to: target does not exist +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dbt_unittest.psmp dbt_unittest.o -lcp2kdbt -lcp2ktas -lcp2kdbx -lcp2kdbm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'realspace_grid_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'grid_api.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/grid/grid_api.F grid_api.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_linked_list_pw.o' due to: target does not exist @@ -7064,66 +7100,61 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_realspace_grid_init.F cp_realspace_grid_init.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pme_tools.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pme_tools.F pme_tools.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cube_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' cube_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_rsgrid.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_rsgrid.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grid/grid_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/grid/' grid_api.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cp_linked_list_pw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' cp_linked_list_pw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dgs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dgs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_realspace_grid_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme_tools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pme_tools.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grid/grid_api.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/grid/' grid_api.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cube_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' cube_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/cp_linked_list_pw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' cp_linked_list_pw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dgs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dgs.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_rsgrid.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_rsgrid.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_realspace_grid_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_realspace_grid_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme_tools.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pme_tools.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw_ic.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_realspace_grid_init.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_rsgrid.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pme_tools.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cube_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw_ic.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mm_collocate_potential.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mm_collocate_potential.F mm_collocate_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:17 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_collocate_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mm_collocate_potential.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pme_tools.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mm_collocate_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mm_collocate_potential.F90 /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a" -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'grid_api.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_linked_list_pw.mod' due to: target does not exist true Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a grid_api.o grid_replay.o grid_task_list.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgrid.a +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'grid_api.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_pool_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_pool_types.F pw_pool_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'task_list_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/task_list_types.F task_list_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:17 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' task_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' task_list_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_pool_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_pool_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'task_list_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_linked_list_pw.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kg_environment_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kg_environment_types.F kg_environment_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_pool_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_pool_types.F pw_pool_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_environment_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mm_collocate_potential.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_pool_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_pool_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'post_scf_bandstructure_types.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dgs.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_communication.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_communication.F gw_communication.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_communication.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_communication.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_environment_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kg_vertex_coloring_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kg_vertex_coloring_methods.F kg_vertex_coloring_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:20 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_vertex_coloring_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_vertex_coloring_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_vertex_coloring_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_vertex_coloring_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_pool_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dielectric_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dielectric_types.F dielectric_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dirichlet_bc_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dirichlet_bc_types.F dirichlet_bc_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dielectric_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dielectric_types.F dielectric_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mt_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/mt_util.F mt_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rs_methods.o' due to: target does not exist @@ -7134,38 +7165,36 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho_types.F qs_rho_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_derivative_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_derivative_types.F xc_derivative_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dirichlet_bc_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_nonloc.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_nonloc.F qs_dispersion_nonloc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dielectric_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_nmr_epr_common_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_nmr_epr_common_utils.F qs_linres_nmr_epr_common_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dielectric_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dirichlet_bc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/mt_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' mt_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/rs_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' rs_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_spline_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_nonloc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_nonloc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_epr_common_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_nmr_epr_common_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivative_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/mt_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' mt_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/rs_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' rs_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_spline_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivative_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_nonloc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_nonloc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_epr_common_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_nmr_epr_common_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dielectric_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_derivative_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_linked_list_xc_deriv.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/cp_linked_list_xc_deriv.F cp_linked_list_xc_deriv.F90 -/build/reproducible-path/cp2k-2025.1/src/gw_communication.F:308:42: - - 308 | ALLOCATE (row_block_from_index(nmo)) - | ^ -Warning: 'nmo' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/gw_communication.F:149:34: - - 149 | nblkrows_total, ngroup, nmo, num_blocks, offset, row, row_from_buffer, row_offset, & - | ^~~ -note: 'nmo' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_nmr_epr_common_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dirichlet_bc_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/cp_linked_list_xc_deriv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' cp_linked_list_xc_deriv.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_implicit_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_types.F ps_implicit_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'post_scf_bandstructure_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_communication.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_communication.F gw_communication.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/cp_linked_list_xc_deriv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' cp_linked_list_xc_deriv.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_implicit_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_communication.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_communication.F90 /build/reproducible-path/cp2k-2025.1/src/kg_vertex_coloring_methods.F:120:36: 120 | nneighbors = nneighbors + 1 @@ -7186,30 +7215,32 @@ 174 | INTEGER :: color, handle, i, j, newcolor, & | ^~~~~~~~ note: 'newcolor' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mt_util.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_nmr_epr_common_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dirichlet_bc_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mt_util.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_wf_history_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_wf_history_types.F qs_wf_history_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_implicit_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_types.F ps_implicit_types.F90 /build/reproducible-path/cp2k-2025.1/src/xc/cp_linked_list_xc_deriv.F:54:9: 54 | $:inst(nametype1, type1, type1in, type1out, eq, arrayeq, type1arrayEl, arrayEl, private_routines, default_init) | ^ Warning: 'cp_sll_deriv_less_q' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:22 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_wf_history_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:22 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_implicit_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_vertex_coloring_methods.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_wf_history_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_implicit_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_poisson_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_poisson_types.F pw_poisson_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_linked_list_xc_deriv.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_derivative_set_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_derivative_set_types.F xc_derivative_set_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:22 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivative_set_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_poisson_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivative_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivative_set_types.F90 /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_nonloc.F:842:68: 842 | h_prefactor(i_grid) = h_prefactor(i_grid) + prefactor @@ -7222,35 +7253,38 @@ note: 'prefactor' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_wf_history_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rs_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dielectric_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dielectric_methods.F dielectric_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_communication.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dielectric_methods.F90 /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_nonloc.F:589:61: 589 | REAL(KIND=dp) :: g, g2, g2_last, g_multiplier, gm | ^ Warning: 'g' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_implicit_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_poisson_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_poisson_types.F pw_poisson_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_poisson_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_derivative_set_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rs_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dielectric_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dielectric_methods.F dielectric_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dielectric_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dielectric_methods.F90 /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_nonloc.F:1042:105: 1042 | dq0_dgradrho(i_grid) = total_rho(i_grid)*dq0_dq*2.0_dp*(-Z_ab)/(36.0_dp*kF*total_rho(i_grid)**2) | ^ Warning: 'z_ab' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/gw_communication.F:308:42: + + 308 | ALLOCATE (row_block_from_index(nmo)) + | ^ +Warning: 'nmo' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_nonloc.F:966:83: 966 | q_min, r_s, sqrt_r_s, Z_ab | ^~~~ note: 'z_ab' was declared here +/build/reproducible-path/cp2k-2025.1/src/gw_communication.F:149:34: + + 149 | nblkrows_total, ngroup, nmo, num_blocks, offset, row, row_from_buffer, row_offset, & + | ^~~ +note: 'nmo' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_nonloc.F:1180:118: 1180 | *(gradient_rho(i_grid, 1)**2 + gradient_rho(i_grid, 2)**2 + gradient_rho(i_grid, 3)**2) @@ -7261,59 +7295,59 @@ 1149 | q_min, r_s, sqrt_r_s, Z_ab | ^~~~ note: 'z_ab' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_nonloc.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_poisson_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dirichlet_bc_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dirichlet_bc_methods.F dirichlet_bc_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_methods.F ps_wavelet_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dg_rho0_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dg_rho0_types.F dg_rho0_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_wavelet_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_methods.F ps_wavelet_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_poisson_read_input.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw_poisson_read_input.F pw_poisson_read_input.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_env_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw_env/pw_env_types.F pw_env_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pair_potential_coulomb.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pair_potential_coulomb.F pair_potential_coulomb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dirichlet_bc_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dg_rho0_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_poisson_read_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pw_poisson_read_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/pw_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' pw_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dirichlet_bc_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dirichlet_bc_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_rho0_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dg_rho0_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_wavelet_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_wavelet_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_poisson_read_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pw_poisson_read_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/pw_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' pw_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pair_potential_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pair_potential_coulomb.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pair_potential_coulomb.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dg_rho0_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dg_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/dg_types.F dg_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_communication.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dg_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_env_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/dg_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' dg_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_qmmm_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_qmmm_types.F qs_ks_qmmm_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_gaussian_init.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_init.F qmmm_gaussian_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_qmmm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_qmmm_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gaussian_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gaussian_init.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_nonloc.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dg_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_types.F semi_empirical_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_qmmm_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dielectric_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gaussian_init.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/semi_empirical_types.F:457:4: 457 | SUBROUTINE set_se_param(sep, name, typ, defined, z, zeff, natorb, eheat, & | ^~~~~~~~~~~~~~~~~~~~~~~ Warning: 'set_se_param' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gaussian_init.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_poisson_read_input.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_methods.mod' due to: target does not exist @@ -7326,9 +7360,11 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int3_utils.F semi_empirical_int3_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_gks.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_gks.F semi_empirical_int_gks.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_par_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_par_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int3_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int3_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_gks.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_gks.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_par_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_par_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int3_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int3_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dielectric_methods.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_gks.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_gks.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int3_utils.F:118:32: 118 | add = (pij + pkl)**2 @@ -7349,10 +7385,6 @@ 80 | REAL(KIND=dp) :: add, ccc, chrg, pij, pkl, sum | ^~~ note: 'pkl' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int3_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_utils.F semi_empirical_int_utils.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_par_utils.F:978:13: 978 | IF (f1 < f2) THEN @@ -7373,17 +7405,11 @@ 951 | REAL(KIND=dp) :: a1, a2, delta, dsq, ev4, ev8, f1, f2, & | ^~ note: 'f2' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_utils.F90 -/build/reproducible-path/cp2k-2025.1/src/pw/pw_spline_utils.F:919:19: - - 919 | IF (idirVal == 0) THEN - | ^ -Warning: 'idirval' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/pw_spline_utils.F:903:64: - - 903 | INTEGER :: i, idirVal, j, k - | ^~~~~~~ -note: 'idirval' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int3_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_utils.F semi_empirical_int_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_utils.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_par_utils.F:278:13: 278 | IF (n < 0) THEN @@ -7400,8 +7426,7 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_mpole_methods.F semi_empirical_mpole_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_parameters.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_parameters.F semi_empirical_parameters.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_mpole_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_parameters.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_parameters.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_mpole_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_mpole_methods.F90 /build/reproducible-path/cp2k-2025.1/src/pw/dirichlet_bc_methods.F:898:13: 898 | IF (h .GT. MINVAL((/Lx, Lz/))) THEN @@ -7412,6 +7437,24 @@ 813 | REAL(dp) :: cntrlaxis_lb, cntrlaxis_ub, h, Lx, Ly, & | ^ note: 'h' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_parameters.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_parameters.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/pw_spline_utils.F:919:19: + + 919 | IF (idirVal == 0) THEN + | ^ +Warning: 'idirval' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/pw_spline_utils.F:903:64: + + 903 | INTEGER :: i, idirVal, j, k + | ^~~~~~~ +note: 'idirval' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_mpole_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dirichlet_bc_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_implicit_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F ps_implicit_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_implicit_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_spline_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_poisson.o' due to: target does not exist @@ -7422,27 +7465,12 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_util.F xc_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_spline_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw_env/cp_spline_utils.F cp_spline_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:28 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_poisson.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_poisson.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:28 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:28 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:28 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/cp_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' cp_spline_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dirichlet_bc_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ps_implicit_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F ps_implicit_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_mpole_methods.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/ps_implicit_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' ps_implicit_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_rho_set_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_rho_set_types.F xc_rho_set_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_spline_utils.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_poisson.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_poisson.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/cp_spline_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' cp_spline_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_gks.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rs_pw_interface.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw_env/rs_pw_interface.F rs_pw_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_rho_set_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/rs_pw_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' rs_pw_interface.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_utils.F:315:38: 315 | add = (pij + pkl)**2 @@ -7503,14 +7531,22 @@ 1144 | iscreen, shortrange, pc_coulomb_int, max_multipole, itype, eval) RESULT(res) | ^ note: 'res' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_gks.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_spline_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rs_pw_interface.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw_env/rs_pw_interface.F rs_pw_interface.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_util.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_rho_set_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_rho_set_types.F xc_rho_set_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env/rs_pw_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw_env/' rs_pw_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_rho_set_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_rho_set_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rs_pw_interface.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a cp_spline_utils.o rs_pw_interface.o pw_env_types.o gaussian_gridlevels.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a gaussian_gridlevels.o rs_pw_interface.o pw_env_types.o cp_spline_utils.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw_env.a /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_poisson.mod' due to: target does not exist true @@ -7518,12 +7554,8 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_environment_types.F ewald_environment_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_mm.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_mm.F input_cp2k_mm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:31 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:31 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_mm.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_environment_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_nonbond_force.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F fist_nonbond_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_mm.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_utils.F:1920:42: 1920 | sb_d = (sqb_d*r - sqb*r_d)*r2i @@ -7614,7 +7646,6 @@ 1700 | pt5sq3, r2i, s2a, s2b, sa, sb, sb2, & | ^~~ note: 'sb2' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_nonbond_force.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_rho_set_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kpp1_env_types.o' due to: target does not exist @@ -7631,94 +7662,100 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_ke_gga.F xc_ke_gga.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_libxc.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_libxc.F xc_libxc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kpp1_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kpp1_env_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_lyp.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_lyp.F xc_lyp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_b97.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_lyp_adiabatic.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_lyp_adiabatic.F xc_lyp_adiabatic.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_cs1.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_cs1.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_exchange_gga.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_exchange_gga.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_b97.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_b97.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_cs1.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_cs1.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_optx.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_optx.F xc_optx.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_hcth.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_hcth.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_exchange_gga.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_exchange_gga.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_pade.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_pade.F xc_pade.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_hcth.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_hcth.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_pbe.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F xc_pbe.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_lyp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_ke_gga.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_ke_gga.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_libxc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_lyp_adiabatic.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_perdew_zunger.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F xc_perdew_zunger.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_perdew_wang.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F xc_perdew_wang.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pade.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_pade.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_ke_gga.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_ke_gga.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_lyp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_tfw.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_tfw.F xc_tfw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_optx.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_optx.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_libxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_libxc.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_thomas_fermi.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_thomas_fermi.F xc_thomas_fermi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pbe.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_pbe.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_lyp_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_lyp_adiabatic.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_tpss.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_tpss.F xc_tpss.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_optx.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_optx.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pade.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_pade.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_vwn.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F xc_vwn.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_zunger.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_perdew_zunger.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_pbe.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_pbe.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xalpha.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xalpha.F xc_xalpha.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xbecke88.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88.F xc_xbecke88.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_zunger.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_perdew_zunger.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xbecke88_long_range.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F xc_xbecke88_long_range.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tpss.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_tpss.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tfw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_tfw.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xbecke88_lr_adiabatic.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F xc_xbecke88_lr_adiabatic.F90 -/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:965:92: - - 965 | CALL ps_implicit_report_ehartree(ps_implicit_env, outp_unit, ehartree/vol_scfac) - | ^ -Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:777:78: - - 777 | pres_error, tol, vol_scfac - | ^~~~~~~~~ -note: 'vol_scfac' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_wang.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_perdew_wang.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_thomas_fermi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_thomas_fermi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew_wang.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_perdew_wang.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tfw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_tfw.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xbecke_roussel.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F xc_xbecke_roussel.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_thomas_fermi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_thomas_fermi.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xbeef.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F xc_xbeef.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_vwn.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_vwn.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xalpha.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xalpha.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke88.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_long_range.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke88_long_range.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xlda_hole_t_c_lr.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F xc_xlda_hole_t_c_lr.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xpbe_hole_t_c_lr.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F xc_xpbe_hole_t_c_lr.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xwpbe.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F xc_xwpbe.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke_roussel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke_roussel.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbeef.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbeef.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc_methods.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_tpss.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_tpss.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:965:92: + + 965 | CALL ps_implicit_report_ehartree(ps_implicit_env, outp_unit, ehartree/vol_scfac) + | ^ +Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:777:78: + + 777 | pres_error, tol, vol_scfac + | ^~~~~~~~~ +note: 'vol_scfac' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_environment_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_nonbond_force.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F fist_nonbond_force.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kpp1_env_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xpbe_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xpbe_hole_t_c_lr.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_num.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_num.F semi_empirical_int_num.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xlda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xlda_hole_t_c_lr.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_vwn.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_vwn.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xalpha.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xalpha.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke88.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_long_range.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke88_long_range.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke_roussel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke_roussel.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_p_env_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_p_env_types.F qs_p_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xwpbe.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xwpbe.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_num.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_num.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_lr_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke88_lr_adiabatic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xlda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xlda_hole_t_c_lr.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbeef.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbeef.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xpbe_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xpbe_hole_t_c_lr.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbecke88_lr_adiabatic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbecke88_lr_adiabatic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_nonbond_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_nonbond_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xwpbe.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xwpbe.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_utils.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_p_env_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_num.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_num.F semi_empirical_int_num.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc_methods.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_num.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_num.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_hcth.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/xc/xc_lyp_adiabatic.F:557:43: @@ -8211,7 +8248,6 @@ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^~~ note: 't96' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_p_env_types.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:695:58: 695 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) @@ -8292,116 +8328,6 @@ 614 | tzz, tzzz | ^~~ Warning: 'tzz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:661:53: - - 661 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) - | ^ -Warning: 'trrr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:540:75: - - 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^~~~ -note: 'trrr' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:661:53: - - 661 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) - | ^ -Warning: 'trrz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:540:81: - - 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^~~~ -note: 'trrz' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:669:65: - - 669 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) - | ^ -Warning: 'trzz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:540:92: - - 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^~~~ -note: 'trzz' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:683:53: - - 683 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) - | ^ -Warning: 'tzzz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:541:66: - - 541 | tzz, tzzz - | ^~~~ -note: 'tzzz' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:642:37: - - 642 | ed(m) = tr*r(1) + tz*z(1, 0) - | ^ -Warning: 'tr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:540:66: - - 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^~ -note: 'tr' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:540:98: - - 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^~ -Warning: 'tz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:648:56: - - 648 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) - | ^ -Warning: 'trr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:540:70: - - 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^~~ -note: 'trr' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:648:56: - - 648 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) - | ^ -Warning: 'trz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:540:87: - - 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & - | ^~~ -note: 'trz' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:541:61: - - 541 | tzz, tzzz - | ^~~ -Warning: 'tzz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:290:79: - - 290 | e_ndrho(ii) = e_ndrho(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx - | ^ -Warning: 'ds_ndrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:228:61: - - 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^~~~~~~~ -note: 'ds_ndrho' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:289:99: - - 289 | e_rho(ii) = e_rho(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx - | ^ -Warning: 'ds_rho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:228:71: - - 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^~~~~~ -note: 'ds_rho' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:289:99: - - 289 | e_rho(ii) = e_rho(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx - | ^ -Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:228:79: - - 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^~ -note: 'dt' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx @@ -8522,120 +8448,86 @@ 245 | t82, t86, t9, t91, t95 | ^~ note: 't9' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_lyp_adiabatic.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:489:89: - - 489 | e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx - | ^ -Warning: 'ds_ndrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:425:61: - - 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^~~~~~~~ -note: 'ds_ndrho' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:488:109: - - 488 | e_rho_spin(ii) = e_rho_spin(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx - | ^ -Warning: 'ds_rho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:425:71: - - 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^~~~~~ -note: 'ds_rho' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:488:109: - - 488 | e_rho_spin(ii) = e_rho_spin(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx - | ^ -Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:425:79: - - 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^~ -note: 'dt' was declared here -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:499:93: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:661:53: - 499 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qeff_a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:63: + 661 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) + | ^ +Warning: 'trrr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:540:75: - 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^~~~~~ -note: 'qeff_a' was declared here -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:499:93: + 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^~~~ +note: 'trrr' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:661:53: - 499 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qeff_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:71: + 661 | + 3.0_dp*tzz*z(1, 0)*z(2, 0) + tz*z(3, 0) + | ^ +Warning: 'trrz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:540:81: - 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^~~~~~ -note: 'qeff_b' was declared here -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:477:96: + 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^~~~ +note: 'trrz' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:669:65: - 477 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qshell_a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:79: + 669 | + trz*r(1)*z(2, 0) + tzz*z(2, 0)*z(0, 1) + tz*z(2, 1) + | ^ +Warning: 'trzz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:540:92: - 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^~~~~~~~ -note: 'qshell_a' was declared here -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:459:96: + 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^~~~ +note: 'trzz' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:683:53: - 459 | ei_interaction_cutoffs(3, kind_a, kind_b)) - | ^ -Warning: 'qshell_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:89: + 683 | + 3.0_dp*tzz*z(0, 1)*z(0, 2) + tz*z(0, 3) + | ^ +Warning: 'tzzz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:541:66: - 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^~~~~~~~ -note: 'qshell_b' was declared here -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:398:96: + 541 | tzz, tzzz + | ^~~~ +note: 'tzzz' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:642:37: - 398 | ei_interaction_cutoffs(1, kind_a, kind_b)) - | ^ -Warning: 'qcore_a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:45: + 642 | ed(m) = tr*r(1) + tz*z(1, 0) + | ^ +Warning: 'tr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:540:66: - 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^~~~~~~ -note: 'qcore_a' was declared here -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:398:96: + 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^~ +note: 'tr' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:540:98: - 398 | ei_interaction_cutoffs(1, kind_a, kind_b)) - | ^ -Warning: 'qcore_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:54: + 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^~ +Warning: 'tz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:648:56: - 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & - | ^~~~~~~ -note: 'qcore_b' was declared here -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:382:28: + 648 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) + | ^ +Warning: 'trr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:540:70: - 382 | IF (shell_a == 0) THEN - | ^ -Warning: 'shell_a' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:98:44: + 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^~~ +note: 'trr' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:648:56: - 98 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type - | ^~~~~~~ -note: 'shell_a' was declared here -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:388:33: + 648 | + tr*r(2) + tzz*z(1, 0)**2 + tz*z(2, 0) + | ^ +Warning: 'trz' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:540:87: - 388 | ELSE IF (shell_b == 0) THEN - | ^ -Warning: 'shell_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:98:53: + 540 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & + | ^~~ +note: 'trz' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_wang.F:541:61: - 98 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type - | ^~~~~~~ -note: 'shell_b' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_perdew_zunger.mod' due to: target does not exist -true + 541 | tzz, tzzz + | ^~~ +Warning: 'tzz' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:540:29: 540 | t78 = beta*t77 @@ -8666,8 +8558,718 @@ 427 | kfrhorhorho, mu, my_norm_drho, my_rho, p_1, p_2, rs, rs2rho, rsrho, rsrhorho, & | ^~ note: 'mu' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_perdew86.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew86.F xc_perdew86.F90 +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:83: + + 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & + | ^~~~ +note: 't102' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:89: + + 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & + | ^~~~ +note: 't106' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:959:23: + + 959 | t183 = t12*t11 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:95: + + 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & + | ^~~ +note: 't11' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:10: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^~~~ +note: 't110' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:16: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^~~~ +note: 't113' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:22: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^~~~ +note: 't115' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:34: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^~~~ +note: 't118' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:40: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^~~~ +note: 't119' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:993:28: + + 993 | t272 = t268/t12/t13 + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:46: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^~~ +note: 't12' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:51: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^~~~ +note: 't122' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:63: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^~~~ +note: 't126' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:69: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^~~~ +note: 't127' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:981:24: + + 981 | t229 = t13*t225 + | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:81: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^~~ +note: 't13' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:86: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^~~~ +note: 't130' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:92: + + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & + | ^~~~ +note: 't133' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:10: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^~~~ +note: 't135' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:16: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^~~~ +note: 't138' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:22: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^~~ +note: 't14' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:27: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^~~~ +note: 't140' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:33: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^~~~ +note: 't142' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:39: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^~~~ +note: 't143' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:45: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^~~~ +note: 't146' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1003:34: + + 1003 | t307 = 0.1e1_dp/t305*t150 + | ^ +Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:51: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^~~~ +note: 't150' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:57: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^~~~ +note: 't151' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't152' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:63: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^~~~ +note: 't152' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:69: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^~~~ +note: 't155' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't158' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:75: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^~~~ +note: 't158' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1008:22: + + 1008 | t330 = g4*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:87: + + 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & + | ^~~ +note: 't17' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:982:24: + + 982 | t232 = t19*t225 + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:845:70: + + 845 | t172, t173, t174, t178, t179, t180, t183, t184, t185, t188, t19, t190, t191, t192, t193, & + | ^~~ +note: 't19' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1028:23: + + 1028 | t461 = t74*t21 + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:846:44: + + 846 | t196, t197, t2, t200, t204, t207, t21, t211, t212, t213, t217, t22, t221, t225, t229, & + | ^~~ +note: 't21' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:979:54: + + 979 | *t41 - 0.9e1_dp/0.4e1_dp*t22*t221*t204 + | ^ +Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:846:73: + + 846 | t196, t197, t2, t200, t204, t207, t21, t211, t212, t213, t217, t22, t221, t225, t229, & + | ^~~ +note: 't22' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1022:23: + + 1022 | t406 = t25*t31 + | ^ +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:847:40: + + 847 | t232, t235, t236, t242, t248, t25, t264, t268, t27, t272, t276, t278, t280, t287, t289, & + | ^~~ +note: 't25' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:985:24: + + 985 | t242 = t27*t225 + | ^ +Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:847:57: + + 847 | t232, t235, t236, t242, t248, t25, t264, t268, t27, t272, t276, t278, t280, t287, t289, & + | ^~~ +note: 't27' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:970:59: + + 970 | t204 = 4*t193*t185 + 5*t196*t197 + 6*t200*t31*t174 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:848:49: + + 848 | t29, t292, t297, t299, t3, t305, t307, t31, t317, t320, t324 + | ^~~ +note: 't31' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:996:45: + + 996 | t280 = 0.1e1_dp/t21*t33*t276*t1*t278 + | ^ +Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:30: + + 849 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & + | ^~~ +note: 't33' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:59: + + 849 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & + | ^~~ +note: 't34' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:76: + + 849 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & + | ^~~ +note: 't35' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:10: + + 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & + | ^~~ +note: 't37' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:15: + + 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & + | ^~~ +note: 't38' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:990:27: + + 990 | *t37*t248 + | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:26: + + 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & + | ^~~ +note: 't39' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:53: + + 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & + | ^~~ +note: 't40' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:10: + + 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & + | ^~~ +note: 't44' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:290:79: + + 290 | e_ndrho(ii) = e_ndrho(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx + | ^ +Warning: 'ds_ndrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:15: + + 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & + | ^~~ +note: 't45' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:972:47: + + 972 | t211 = 0.2e1_dp/0.3e1_dp*t50*t93*t7*t4 + | ^ +Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:228:61: + + 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^~~~~~~~ +note: 'ds_ndrho' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:64: + + 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & + | ^~~ +note: 't50' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:289:99: + + 289 | e_rho(ii) = e_rho(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx + | ^ +Warning: 'ds_rho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1001:28: + + 1001 | t299 = 0.1e1_dp/t51 + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:69: + + 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & + | ^~~ +note: 't51' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:228:71: + + 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^~~~~~ +note: 'ds_rho' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:289:99: + + 289 | e_rho(ii) = e_rho(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx + | ^ +Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:80: + + 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & + | ^~~ +note: 't52' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:228:79: + + 228 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^~ +note: 'dt' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1002:22: + + 1002 | t305 = t56**2 + | ^ +Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:38: + + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^~~ +note: 't56' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:49: + + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^~~ +note: 't58' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:66: + + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^~ +note: 't6' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:80: + + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^~~ +note: 't64' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:85: + + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^~~ +note: 't65' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:90: + + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^~ +note: 't7' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1028:23: + + 1028 | t461 = t74*t21 + | ^ +Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:94: + + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^~~ +note: 't74' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:10: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^~~ +note: 't75' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1060:38: + + 1060 | t531 = F1*t235*t34 - t77*t529 + | ^ +Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:15: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^~~ +note: 't77' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1025:23: + + 1025 | t415 = t79*t21 + | ^ +Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:20: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^~~ +note: 't79' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:29: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^~~ +note: 't81' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:34: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^~~ +note: 't83' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:39: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^~~ +note: 't84' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1014:32: + + 1014 | t352 = 0.1e1_dp/t85/t33 + | ^ +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:44: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^~~ +note: 't85' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1064:24: + + 1064 | t586 = t86*t225 + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:49: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^~~ +note: 't86' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + + 1084 | *t155)*Clda)*sx + | ^ +Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:54: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^~~ +note: 't89' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:59: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^~~ +note: 't91' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:64: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^~~ +note: 't93' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + + 1052 | Clda)*sx + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:79: + + 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 + | ^~~ +note: 't97' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: + + 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) + | ^ +Warning: 'p' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:24: + + 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & + | ^ +note: 'p' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: + + 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) + | ^ +Warning: 'q' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:41: + + 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & + | ^ +note: 'q' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1000:25: + + 1000 | t297 = EXP(-t53) + | ^ +Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:16: + + 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & + | ^~~ +note: 't53' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_cs1.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2453:35: 2453 | t274 = t101*t104*t108*t110 @@ -9328,11 +9930,13 @@ 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^~~~ note: 't109' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xlda_hole_t_c_lr.mod' due to: target does not exist /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2233:26: 2233 | *t110*t273 | ^ Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:82: 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & @@ -9818,9 +10422,926 @@ 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^~~ note: 't99' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew86.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_perdew86.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_tpss.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:489:89: + + 489 | e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx + | ^ +Warning: 'ds_ndrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:425:61: + + 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^~~~~~~~ +note: 'ds_ndrho' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:488:109: + + 488 | e_rho_spin(ii) = e_rho_spin(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx + | ^ +Warning: 'ds_rho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:425:71: + + 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^~~~~~ +note: 'ds_rho' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:488:109: + + 488 | e_rho_spin(ii) = e_rho_spin(ii) + (SUM(e_leg*a)*e_ueg_drho + SUM(de_leg*a)*dt*ds_rho*e_ueg)*sx + | ^ +Warning: 'dt' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:425:79: + + 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + | ^~ +note: 'dt' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_p_env_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_optx.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_perdew_zunger.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_lyp_adiabatic.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_perdew86.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew86.F xc_perdew86.F90 +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:647:49: + + 647 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248 + | ^ +Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:45: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^~~ +note: 't14' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:690:42: + + 690 | *(t262 - t235*t41*t248)) + | ^ +Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:489:65: + + 489 | REAL(KIND=dp) :: t717, t720, t723, t73, t739, t758, t762, t77, t8, t800, t803, t808, t85, & + | ^~~ +note: 't77' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:699:33: + + 699 | t445 = 0.1e1_dp/t117/t33 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:63: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^~~~ +note: 't117' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: + + 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) + | ^ +Warning: 'p' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:475:24: + + 475 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t103, t104, & + | ^ +note: 'p' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: + + 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) + | ^ +Warning: 'q' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:475:41: + + 475 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t103, t104, & + | ^ +note: 'q' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:16: + + 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 + | ^~~ +note: 't64' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:484:42: + + 484 | t38, t382, t385, t39, t393, t4, t40, t401, t402, t404, t405, t409, t41, t42, t420, t421, & + | ^~~ +note: 't40' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:10: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^~~~ +note: 't125' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:79: + + 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & + | ^~~ +note: 't37' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:22: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^~~~ +note: 't129' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:56: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^~~~ +note: 't142' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:39: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^~~~ +note: 't136' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't163' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:28: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^~~~ +note: 't163' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:34: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^~~~ +note: 't164' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:51: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^~~~ +note: 't115' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:33: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^~~~ +note: 't195' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:718:29: + + 718 | t581 = t64*t118*t103 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:475:83: + + 475 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t103, t104, & + | ^~~~ +note: 't103' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:720:25: + + 720 | t603 = t437*t105 + | ^ +Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:10: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^~~~ +note: 't105' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:661:30: + + 661 | t314 = t312*t106*t107 + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:16: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^~~~ +note: 't106' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:702:25: + + 702 | t473 = t424*t107 + | ^ +Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:22: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^~~~ +note: 't107' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:704:30: + + 704 | t479 = t108*t429*t331 + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:28: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^~~~ +note: 't108' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:34: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^~~~ +note: 't109' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:675:23: + + 675 | t373 = t73*t11 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:40: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^~~ +note: 't11' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:45: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^~~~ +note: 't113' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:723:25: + + 723 | t612 = t429*t116 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:57: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^~~~ +note: 't116' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:782:25: + + 782 | t808 = t118*t269 + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:69: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^~~~ +note: 't118' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: + + 773 | t409*(t281 - t235*t41*t292)) + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:81: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^~~ +note: 't12' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:86: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^~~~ +note: 't121' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:92: + + 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & + | ^~~~ +note: 't123' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:649:24: + + 649 | t273 = t13*t269 + | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:28: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^~~ +note: 't13' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:33: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^~~~ +note: 't133' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:50: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^~~~ +note: 't140' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:62: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^~~~ +note: 't143' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:68: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^~~~ +note: 't144' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:74: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^~~~ +note: 't147' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:80: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^~~~ +note: 't150' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't152' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:86: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^~~~ +note: 't152' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:92: + + 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & + | ^~~~ +note: 't155' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:10: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^~~~ +note: 't156' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:16: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^~~~ +note: 't159' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:40: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^~~~ +note: 't167' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:635:22: + + 635 | t240 = a4*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:46: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^~~ +note: 't17' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't170' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:51: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^~~~ +note: 't170' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:57: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^~~~ +note: 't173' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:63: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^~~~ +note: 't175' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:69: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^~~~ +note: 't176' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:75: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^~~~ +note: 't177' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:81: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^~~~ +note: 't178' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't181' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:87: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^~~~ +note: 't181' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:93: + + 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & + | ^~~~ +note: 't183' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:10: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^~~~ +note: 't187' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:698:24: + + 698 | t437 = t227*t19 + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:16: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^~~ +note: 't19' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:21: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^~~~ +note: 't190' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:670:34: + + 670 | t349 = 0.1e1_dp/t347*t194 + | ^ +Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:27: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^~~~ +note: 't194' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:39: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^~~~ +note: 't196' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:45: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^~~~ +note: 't199' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:55: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^~~~ +note: 't202' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:709:24: + + 709 | t504 = t429*t21 + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:67: + + 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & + | ^~~ +note: 't21' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:647:49: + + 647 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248 + | ^ +Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:480:10: + + 480 | t22, t222, t223, t224, t227, t228, t229, t232, t234, t235, t236, t237, t240, t244, t248, & + | ^~~ +note: 't22' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:714:25: + + 714 | t533 = t25*t31*C + | ^ +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:481:10: + + 481 | t25, t251, t255, t256, t257, t261, t262, t265, t269, t27, t273, t276 + | ^~~ +note: 't25' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:637:63: + + 637 | t248 = 4*t237*t229 + 5*t240*t27*t218 + 6*t244*t31*t218 + | ^ +Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:481:63: + + 481 | t25, t251, t255, t256, t257, t261, t262, t265, t269, t27, t273, t276 + | ^~~ +note: 't27' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:714:25: + + 714 | t533 = t25*t31*C + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:482:63: + + 482 | REAL(KIND=dp) :: t279, t280, t281, t29, t292, t3, t308, t31, t312, t314, t318, t320, t322, & + | ^~~ +note: 't31' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:699:33: + + 699 | t445 = 0.1e1_dp/t117/t33 + | ^ +Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:10: + + 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & + | ^~~ +note: 't33' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:652:24: + + 652 | t280 = t279*t34 + | ^ +Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:33: + + 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & + | ^~~ +note: 't34' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:56: + + 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & + | ^~~ +note: 't35' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:484:10: + + 484 | t38, t382, t385, t39, t393, t4, t40, t401, t402, t404, t405, t409, t41, t42, t420, t421, & + | ^~~ +note: 't38' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:658:27: + + 658 | *t37*t292 + | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:484:27: + + 484 | t38, t382, t385, t39, t393, t4, t40, t401, t402, t404, t405, t409, t41, t42, t420, t421, & + | ^~~ +note: 't39' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:485:52: + + 485 | t424, t425, t426, t429, t430, t431, t437, t44, t445, t446, t45, t451, t46, t473, t475, & + | ^~~ +note: 't44' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:485:69: + + 485 | t424, t425, t426, t429, t430, t431, t437, t44, t445, t446, t45, t451, t46, t473, t475, & + | ^~~ +note: 't45' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:639:48: + + 639 | t255 = 0.2e1_dp/0.3e1_dp*t50*t125*t7*t4 + | ^ +Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:43: + + 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & + | ^~~ +note: 't50' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: + + 773 | t409*(t281 - t235*t41*t292)) + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:60: + + 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & + | ^~~ +note: 't51' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:71: + + 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & + | ^~~ +note: 't52' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:695:23: + + 695 | t429 = t86*t56 + | ^ +Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:487:33: + + 487 | t533, t534, t54, t541, t56, t568, t57, t58, t581, t590, t6, t60, t603, t604, t61, t611, & + | ^~~ +note: 't56' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:487:49: + + 487 | t533, t534, t54, t541, t56, t568, t57, t58, t581, t590, t6, t60, t603, t604, t61, t611, & + | ^~~ +note: 't58' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:487:66: + + 487 | t533, t534, t54, t541, t56, t568, t57, t58, t581, t590, t6, t60, t603, t604, t61, t611, & + | ^~ +note: 't6' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: + + 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:27: + + 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 + | ^~~ +note: 't65' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: + + 761 | Clda)*sx + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:61: + + 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 + | ^~ +note: 't7' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:766:38: + + 766 | t677 = F1*t279*t34 - t71*t675 + | ^ +Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:65: + + 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 + | ^~~ +note: 't71' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:716:23: + + 716 | t541 = t73*t21 + | ^ +Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:489:42: + + 489 | REAL(KIND=dp) :: t717, t720, t723, t73, t739, t758, t762, t77, t8, t800, t803, t808, t85, & + | ^~~ +note: 't73' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:690:42: + + 690 | *(t262 - t235*t41*t248)) + | ^ +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:489:92: + + 489 | REAL(KIND=dp) :: t717, t720, t723, t73, t739, t758, t762, t77, t8, t800, t803, t808, t85, & + | ^~~ +note: 't85' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:695:23: + + 695 | t429 = t86*t56 + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:10: + + 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 + | ^~~ +note: 't86' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:703:29: + + 703 | t475 = t473*t87*t218 + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:15: + + 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 + | ^~~ +note: 't87' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: + + 773 | t409*(t281 - t235*t41*t292)) + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:20: + + 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 + | ^~~ +note: 't88' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: + + 773 | t409*(t281 - t235*t41*t292)) + | ^ +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:35: + + 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 + | ^~~ +note: 't93' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:690:42: + + 690 | *(t262 - t235*t41*t248)) + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:40: + + 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 + | ^~~ +note: 't94' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: + + 773 | t409*(t281 - t235*t41*t292)) + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:45: + + 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 + | ^~~ +note: 't95' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: + + 773 | t409*(t281 - t235*t41*t292)) + | ^ +Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:55: + + 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 + | ^~~ +note: 't99' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:667:25: + + 667 | t339 = EXP(-t53) + | ^ +Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:94: + + 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & + | ^~~ +note: 't53' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:418:69: 418 | t117*t118*t172 + 0.3333333334e0_dp*t36*t38*t196 @@ -9861,6 +11382,7 @@ 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & | ^~~ note: 't12' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_tpss.mod' due to: target does not exist /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:355:27: 355 | t75 = t16**2 @@ -9871,6 +11393,7 @@ 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & | ^~~ note: 't16' was declared here +true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:354:28: 354 | t72 = t71*t17 @@ -10421,7 +11944,6 @@ 271 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & | ^~~~ note: 't143' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xlda_hole_t_c_lr.mod' due to: target does not exist /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:484:63: 484 | *t146*t347 - 0.5555555558e-1_dp*t146*t351 @@ -10707,7 +12229,6 @@ 434 | t226 = t225*t90 | ^ Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:287:44: 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 @@ -11943,3665 +13464,1069 @@ 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & | ^~~~ note: 't590' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_optx.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_p_env_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:83: - - 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & - | ^~~~ -note: 't102' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:813:82: - 1052 | Clda)*sx - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:89: + 813 | t121 - t24*(t134*t10 + 0.3177280975e0_dp*t137*t121)*t38) + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:683:71: - 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & - | ^~~~ -note: 't106' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:959:23: + 683 | REAL(KIND=dp) :: ap, bp, cp, myrho, myrhoa, myrhob, Qf, Qp, t1, t10, t100, t101, t1019, & + | ^~~ +note: 't10' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:803:30: - 959 | t183 = t12*t11 - | ^ + 803 | t125 = t124*t11 + | ^ Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:95: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:41: - 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & - | ^~~ + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^~~ note: 't11' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:10: - - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^~~~ -note: 't110' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:794:28: - 1052 | Clda)*sx - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:16: + 794 | t113 = t16**2 + | ^ +Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:51: - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^~~~ -note: 't113' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^~~ +note: 't16' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:857:75: - 1052 | Clda)*sx - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:22: + 857 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc + | ^ +Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:16: - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^~~~ -note: 't115' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^~ +note: 't2' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:813:82: - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:34: + 813 | t121 - t24*(t134*t10 + 0.3177280975e0_dp*t137*t121)*t38) + | ^ +Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:64: - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^~~~ -note: 't118' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^~~ +note: 't24' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:808:39: - 1052 | Clda)*sx - | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:40: + 808 | t133 = t26**(-0.20e1_dp) + | ^ +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:690:89: - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^~~~ -note: 't119' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:993:28: + 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & + | ^~~ +note: 't26' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:806:29: - 993 | t272 = t268/t12/t13 - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:46: + 806 | t130 = t27*t96 + | ^ +Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:691:34: - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^~~ -note: 't12' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & + | ^~~ +note: 't27' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:852:32: - 1052 | Clda)*sx - | ^ -Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:51: + 852 | t206 = -t3 - t146 + | ^ +Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:692:45: - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^~~~ -note: 't122' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & + | ^~ +note: 't3' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:810:30: - 1052 | Clda)*sx - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:63: + 810 | t136 = t32*t114 + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:693:16: - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^~~~ -note: 't126' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & + | ^~~ +note: 't32' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:813:82: - 1052 | Clda)*sx - | ^ -Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:69: + 813 | t121 - t24*(t134*t10 + 0.3177280975e0_dp*t137*t121)*t38) + | ^ +Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:694:87: - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^~~~ -note: 't127' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:981:24: + 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & + | ^~~ +note: 't38' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:792:46: - 981 | t229 = t13*t225 - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:81: + 792 | t109 = t4**(-0.3333333332e0_dp) + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:695:58: - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^~~ -note: 't13' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & + | ^~ +note: 't4' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:857:75: - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:86: + 857 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:696:28: - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^~~~ -note: 't130' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^~~ +note: 't42' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:815:29: - 1052 | Clda)*sx - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:92: + 815 | t146 = t43*t91 + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:696:69: - 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & - | ^~~~ -note: 't133' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 + | ^~~ +note: 't43' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:814:43: - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:10: + 814 | t145 = t45**0.333333333e0_dp + | ^ +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:697:59: - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^~~~ -note: 't135' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & + | ^~~ +note: 't45' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:817:43: - 1052 | Clda)*sx - | ^ -Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:16: + 817 | t150 = t48**0.333333333e0_dp + | ^ +Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:698:58: - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^~~~ -note: 't138' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & + | ^~~ +note: 't48' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:824:29: - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:22: + 824 | t161 = t5*t160 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:699:28: - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^~~ -note: 't14' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 699 | t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & + | ^~ +note: 't5' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:848:30: - 1052 | Clda)*sx - | ^ -Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:27: + 848 | t203 = t51*t202 + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:699:68: - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^~~~ -note: 't140' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + 699 | t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & + | ^~~ +note: 't51' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:847:26: - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:33: + 847 | t144 + | ^ +Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:700:52: - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^~~~ -note: 't142' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 700 | t522, t525, t526, t528, t531, t536, t538, t54, t540, t541, t549, t55, t559, t563, t565, & + | ^~~ +note: 't54' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:838:30: - 1052 | Clda)*sx - | ^ -Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:39: + 838 | t184 = t183*t55 + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:700:75: - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^~~~ -note: 't143' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 700 | t522, t525, t526, t528, t531, t536, t538, t54, t540, t541, t549, t55, t559, t563, t565, & + | ^~~ +note: 't55' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:829:28: - 1052 | Clda)*sx - | ^ -Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:45: + 829 | t172 = t59**2 + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:701:45: - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^~~~ -note: 't146' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1003:34: + 701 | t567, t570, t573, t58, t583, t589, t59, t595, t596, t6, t601, t603, t613, t62, t625, t64, & + | ^~~ +note: 't59' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:847:26: - 1003 | t307 = 0.1e1_dp/t305*t150 - | ^ -Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:51: + 847 | t144 + | ^ +Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:702:16: - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^~~~ -note: 't150' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 702 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & + | ^~~ +note: 't67' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:841:39: - 1052 | Clda)*sx - | ^ -Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:57: + 841 | t190 = t68**(-0.20e1_dp) + | ^ +Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:702:21: - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^~~~ -note: 't151' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 702 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & + | ^~~ +note: 't68' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:839:30: - 1052 | Clda)*sx - | ^ -Warning: 't152' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:63: + 839 | t187 = t69*t160 + | ^ +Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:702:26: - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^~~~ -note: 't152' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + 702 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & + | ^~~ +note: 't69' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:843:30: - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:69: + 843 | t193 = t74*t173 + | ^ +Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:703:16: - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^~~~ -note: 't155' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 703 | t732, t74, t743, t745, t748, t752, t755, t758, t769, t78 + | ^~~ +note: 't74' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:847:26: - 1052 | Clda)*sx - | ^ -Warning: 't158' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:75: + 847 | t144 + | ^ +Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:704:42: - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^~~~ -note: 't158' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1008:22: + 704 | REAL(KIND=dp) :: t792, t793, t798, t80, t800, t804, t807, t808, t810, t814, t820, t823, & + | ^~~ +note: 't80' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:855:30: - 1008 | t330 = g4*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:844:87: + 855 | t213 = t212*t85 + | ^ +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:34: - 844 | t135, t138, t14, t140, t142, t143, t146, t150, t151, t152, t155, t158, t165, t17, t170, & - | ^~~ -note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:982:24: + 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^~~ +note: 't85' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:857:75: - 982 | t232 = t19*t225 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:845:70: + 857 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:51: - 845 | t172, t173, t174, t178, t179, t180, t183, t184, t185, t188, t19, t190, t191, t192, t193, & - | ^~~ -note: 't19' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1028:23: + 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^~~ +note: 't86' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:973:31: - 1028 | t461 = t74*t21 - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:846:44: + 973 | t413 = t412*t101 + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:683:82: - 846 | t196, t197, t2, t200, t204, t207, t21, t211, t212, t213, t217, t22, t221, t225, t229, & - | ^~~ -note: 't21' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:979:54: + 683 | REAL(KIND=dp) :: ap, bp, cp, myrho, myrhoa, myrhob, Qf, Qp, t1, t10, t100, t101, t1019, & + | ^~~~ +note: 't101' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:883:32: - 979 | *t41 - 0.9e1_dp/0.4e1_dp*t22*t221*t204 - | ^ -Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:846:73: + 883 | *t102*t231 + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:10: - 846 | t196, t197, t2, t200, t204, t207, t21, t211, t212, t213, t217, t22, t221, t225, t229, & - | ^~~ -note: 't22' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1022:23: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^~~~ +note: 't102' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:929:60: - 1022 | t406 = t25*t31 - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:847:40: + 929 | *t325*t287)*t38) + | ^ +Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:23: - 847 | t232, t235, t236, t242, t248, t25, t264, t268, t27, t272, t276, t278, t280, t287, t289, & - | ^~~ -note: 't25' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:985:24: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^~~~ +note: 't105' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:889:31: - 985 | t242 = t27*t225 - | ^ -Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:847:57: + 889 | t259 = t108*t258 + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:29: - 847 | t232, t235, t236, t242, t248, t25, t264, t268, t27, t272, t276, t278, t280, t287, t289, & - | ^~~ -note: 't27' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:970:59: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^~~~ +note: 't108' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:955:31: - 970 | t204 = 4*t193*t185 + 5*t196*t197 + 6*t200*t31*t174 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:848:49: + 955 | t377 = t376*t109 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:35: - 848 | t29, t292, t297, t299, t3, t305, t307, t31, t317, t320, t324 - | ^~~ -note: 't31' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:996:45: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^~~~ +note: 't109' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:929:60: - 996 | t280 = 0.1e1_dp/t21*t33*t276*t1*t278 - | ^ -Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:30: + 929 | *t325*t287)*t38) + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:46: - 849 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & - | ^~~ -note: 't33' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^~~~ +note: 't110' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:898:29: - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:59: + 898 | t279 = t113**2 + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:52: - 849 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & - | ^~~ -note: 't34' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^~~~ +note: 't113' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:896:31: - 1052 | Clda)*sx - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:849:76: + 896 | t273 = t115*t245 + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:64: - 849 | REAL(KIND=dp) :: t327, t33, t330, t333, t334, t338, t34, t340, t344, t35, t352, t353, t358, & - | ^~~ -note: 't35' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^~~~ +note: 't115' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:929:60: - 1052 | Clda)*sx - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:10: + 929 | *t325*t287)*t38) + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:70: - 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & - | ^~~ -note: 't37' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^~~~ +note: 't116' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:903:40: - 1052 | Clda)*sx - | ^ -Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:15: + 903 | t286 = 0.1e1_dp/t284*t117 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:76: - 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & - | ^~~ -note: 't38' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:990:27: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^~~~ +note: 't117' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:902:29: - 990 | *t37*t248 - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:26: + 902 | t284 = t119**2 + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:82: - 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & - | ^~~ -note: 't39' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^~~~ +note: 't119' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:897:31: - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:850:53: + 897 | t276 = t231*t120 + | ^ +Warning: 't120' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:88: - 850 | t37, t38, t380, t39, t394, t398, t399, t4, t40, t401, t406, t407, t408, t41, t415, t435, & - | ^~~ -note: 't40' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & + | ^~~~ +note: 't120' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:905:30: - 1052 | Clda)*sx - | ^ -Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:10: + 905 | t291 = t124*t96 + | ^ +Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:10: - 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & - | ^~~ -note: 't44' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^~~~ +note: 't124' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:913:43: - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:15: + 913 | t302*t237 - t130*t251 + | ^ +Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:16: - 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & - | ^~~ -note: 't45' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:972:47: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^~~~ +note: 't125' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:909:31: - 972 | t211 = 0.2e1_dp/0.3e1_dp*t50*t93*t7*t4 - | ^ -Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:64: + 909 | t299 = t126*t230 + | ^ +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:22: - 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & - | ^~~ -note: 't50' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1001:28: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^~~~ +note: 't126' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: - 1001 | t299 = 0.1e1_dp/t51 - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:69: + 993 | *t443*t408)*t80) - t332 + | ^ +Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:28: - 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & - | ^~~ -note: 't51' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^~~~ +note: 't127' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:913:43: - 1052 | Clda)*sx - | ^ -Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:851:80: + 913 | t302*t237 - t130*t251 + | ^ +Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:34: - 851 | t44, t45, t454, t46, t461, t48, t485, t496, t498, t5, t50, t51, t512, t52, t524, t525, & - | ^~~ -note: 't52' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1002:22: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^~~~ +note: 't130' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:916:31: - 1002 | t305 = t56**2 - | ^ -Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:38: + 916 | t310 = t132*t309 + | ^ +Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:40: - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^~~ -note: 't56' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^~~~ +note: 't132' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:914:31: - 1052 | Clda)*sx - | ^ -Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:49: + 914 | t307 = t306*t133 + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:46: - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^~~ -note: 't58' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^~~~ +note: 't133' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:929:60: - 1052 | Clda)*sx - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:66: + 929 | *t325*t287)*t38) + | ^ +Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:52: - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^~ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^~~~ +note: 't134' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:920:31: - 1052 | Clda)*sx - | ^ -Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:80: + 920 | t319 = t136*t245 + | ^ +Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:58: - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^~~ -note: 't64' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^~~~ +note: 't136' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:929:60: - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:85: + 929 | *t325*t287)*t38) + | ^ +Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:64: - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^~~ -note: 't65' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^~~~ +note: 't137' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:995:35: - 1052 | Clda)*sx - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:90: + 995 | t455 = 0.2e1_dp*t144 + | ^ +Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:75: - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^~ -note: 't7' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1028:23: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^~~~ +note: 't144' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1001:30: - 1028 | t461 = t74*t21 - | ^ -Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:94: + 1001 | t461 = t145*t43 + | ^ +Warning: 't145' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:81: - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^~~ -note: 't74' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^~~~ +note: 't145' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1000:31: - 1052 | Clda)*sx - | ^ -Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:10: + 1000 | t458 = t333*t147 + | ^ +Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:93: - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^~~ -note: 't75' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1060:38: + 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & + | ^~~~ +note: 't147' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1003:30: - 1060 | t531 = F1*t235*t34 - t77*t529 - | ^ -Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:15: + 1003 | t467 = t150*t43 + | ^ +Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:15: - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^~~ -note: 't77' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1025:23: + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^~~~ +note: 't150' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1002:31: - 1025 | t415 = t79*t21 - | ^ -Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:20: + 1002 | t464 = t342*t151 + | ^ +Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:21: - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^~~ -note: 't79' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^~~~ +note: 't151' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:940:31: - 1052 | Clda)*sx - | ^ -Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:29: + 940 | t351 = t154*t202 + | ^ +Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:27: - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^~~ -note: 't81' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^~~~ +note: 't154' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1010:48: - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:34: + 1010 | + t213)*sc + | ^ +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:33: - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^~~ -note: 't83' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^~~~ +note: 't155' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:954:32: - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:39: + 954 | *t161*t373 + | ^ +Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:39: - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^~~ -note: 't84' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1014:32: + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^~~~ +note: 't156' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:946:39: - 1014 | t352 = 0.1e1_dp/t85/t33 - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:44: + 946 | t363 = 0.1e1_dp/t159/t54 + | ^ +Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:45: - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^~~ -note: 't85' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1064:24: + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^~~~ +note: 't159' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:972:31: - 1064 | t586 = t86*t225 - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:49: + 972 | t412 = t183*t160 + | ^ +Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:56: - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^~~ -note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^~~~ +note: 't160' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:954:32: - 1084 | *t155)*Clda)*sx - | ^ -Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:54: + 954 | *t161*t373 + | ^ +Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:62: - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^~~ -note: 't89' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^~~~ +note: 't161' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:951:32: - 1052 | Clda)*sx - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:59: + 951 | *t162*t231 + | ^ +Warning: 't162' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:68: - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^~~ -note: 't91' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^~~~ +note: 't162' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: - 1052 | Clda)*sx - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:64: + 993 | *t443*t408)*t80) - t332 + | ^ +Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:74: - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^~~ -note: 't93' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^~~~ +note: 't165' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:956:31: - 1052 | Clda)*sx - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:853:79: + 956 | t380 = t168*t258 + | ^ +Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:80: - 853 | t75, t77, t79, t8, t81, t83, t84, t85, t86, t89, t91, t93, t94, t95, t97 - | ^~~ -note: 't97' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^~~~ +note: 't168' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: - 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) - | ^ -Warning: 'p' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:24: + 993 | *t443*t408)*t80) - t332 + | ^ +Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:86: - 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & - | ^ -note: 'p' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^~~~ +note: 't169' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:965:29: - 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) - | ^ -Warning: 'q' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:842:41: + 965 | t400 = t172**2 + | ^ +Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:92: - 842 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t102, t106, t11, & - | ^ -note: 'q' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1000:25: + 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & + | ^~~~ +note: 't172' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:963:31: - 1000 | t297 = EXP(-t53) - | ^ -Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:852:16: + 963 | t394 = t174*t245 + | ^ +Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:16: - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^~~ -note: 't53' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_cs1.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1669:86: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^~~~ +note: 't174' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: - 1669 | t256)*t95*t237 - t94*t97/t29 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:28: + 993 | *t443*t408)*t80) - t332 + | ^ +Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:22: - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^~~ -note: 't10' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1657:33: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^~~~ +note: 't175' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:970:40: - 1657 | t232 = 0.1e1_dp/t100/t99 - | ^ -Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:33: + 970 | t407 = 0.1e1_dp/t405*t176 + | ^ +Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:28: - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^~~~ -note: 't100' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1762:25: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^~~~ +note: 't176' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:969:29: - 1762 | t525 = t143*t101 - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:39: + 969 | t405 = t178**2 + | ^ +Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:34: - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^~~~ -note: 't101' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^~~~ +note: 't178' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:964:31: - 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:45: + 964 | t397 = t231*t179 + | ^ +Warning: 't179' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:40: - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^~~~ -note: 't102' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1781:25: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^~~~ +note: 't179' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:972:31: - 1781 | t581 = t580*t103 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:51: + 972 | t412 = t183*t160 + | ^ +Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:52: - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^~~~ -note: 't103' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1796:37: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^~~~ +note: 't183' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:977:43: - 1796 | /0.3e1_dp*t626)*t106 - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:63: + 977 | t420*t365 - t187*t373 + | ^ +Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:58: - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^~~~ -note: 't106' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^~~~ +note: 't184' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:977:43: - 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:69: + 977 | t420*t365 - t187*t373 + | ^ +Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:64: - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^~~~ -note: 't108' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^~~~ +note: 't187' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:980:31: - 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:75: + 980 | t428 = t189*t427 + | ^ +Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:70: - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & - | ^~~~ -note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1788:25: + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & + | ^~~~ +note: 't189' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:978:31: - 1788 | t614 = t613*t110 - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:81: + 978 | t425 = t424*t190 + | ^ +Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:81: - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & | ^~~~ -note: 't110' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: +note: 't190' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: - 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:87: + 993 | *t443*t408)*t80) - t332 + | ^ +Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:87: - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & | ^~~~ -note: 't111' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: +note: 't191' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:984:31: - 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:93: + 984 | t437 = t193*t245 + | ^ +Warning: 't193' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:93: - 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & | ^~~~ -note: 't113' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: +note: 't193' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: - 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:16: + 993 | *t443*t408)*t80) - t332 + | ^ +Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:10: - 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^~~~ -note: 't116' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1688:76: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^~~~ +note: 't194' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1007:31: - 1688 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:22: + 1007 | t472 = t212*t202 + | ^ +Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:20: - 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^~~~ -note: 't118' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1807:66: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^~~~ +note: 't202' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:996:35: - 1807 | *t233*t623/0.24e2_dp)*sx - | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:28: + 996 | t457 = 0.2e1_dp*t203 + | ^ +Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:26: - 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^~~~ -note: 't119' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1688:76: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^~~~ +note: 't203' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1011:29: - 1688 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx - | ^ -Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:34: + 1011 | t475 = t206**2 + | ^ +Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:32: - 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^~~~ -note: 't121' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1807:66: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^~~~ +note: 't206' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1013:29: - 1807 | *t233*t623/0.24e2_dp)*sx - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:40: + 1013 | t482 = t209**2 + | ^ +Warning: 't209' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:38: - 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & - | ^~~~ -note: 't123' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1611:22: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^~~~ +note: 't209' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1007:31: - 1611 | t128 = t5*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1505:69: + 1007 | t472 = t212*t202 + | ^ +Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:49: - 1505 | t146, t153, t154, t157, t159, t16, t160, t163, t167, t168, t17, t171, t172, t175, t177, & - | ^~~ -note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1616:22: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^~~~ +note: 't212' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1020:102: - 1616 | t138 = t21**2 - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1506:91: + 1020 | e_bb(ip) = e_bb(ip) + ((t332 + t489 + t490 + t452)*t2 + t455 + 0.2e1_dp*t213 + t457)*sc + | ^ +Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:55: - 1506 | t178, t18, t182, t183, t186, t189, t190, t191, t194, t196, t197, t199, t2, t200, t21, & - | ^~~ -note: 't21' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1673:21: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^~~~ +note: 't213' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:944:30: - 1673 | t272 = R*t23 - | ^ -Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1507:27: + 944 | t356 = t88*t160 + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:80: - 1507 | t22, t226, t229, t23, t232, t233, t234, t235, t237, t24, t242, t247, t249, t254, t256, & - | ^~~ -note: 't23' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1669:86: + 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^~~ +note: 't88' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:886:31: - 1669 | t256)*t95*t237 - t94*t97/t29 - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1508:62: + 886 | *t97*t251 + | ^ +Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:85: - 1508 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & - | ^~~ -note: 't29' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1655:25: + 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^~~ +note: 't89' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:871:37: - 1655 | t186*t191 - | ^ -Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1508:95: + 871 | t230 = 0.1e1_dp/t90/t2 + | ^ +Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:90: - 1508 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & - | ^~~ -note: 't30' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1734:23: + 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^~~ +note: 't90' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:958:30: - 1734 | t450 = t31*t42 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:16: + 958 | t382 = t381*t91 + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:95: - 1509 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 - | ^~~ -note: 't31' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1637:32: + 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & + | ^~~ +note: 't91' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:945:30: - 1637 | t189 = 0.1e1_dp/t50/t32 - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:51: + 945 | t357 = t92*t165 + | ^ +Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:706:10: - 1509 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 - | ^~~ -note: 't32' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1613:25: + 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p + | ^~~ +note: 't92' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:873:38: - 1613 | t133 = t33*gamma - | ^ -Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:68: + 873 | t235 = 0.1e1_dp/t95/t10 + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:706:21: - 1509 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 - | ^~~ -note: 't33' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1704:58: + 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p + | ^~~ +note: 't95' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:905:30: - 1704 | *t332 - 0.80e2_dp/0.729e3_dp*t79*t182*t336 - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:22: + 905 | t291 = t124*t96 + | ^ +Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:706:44: - 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^~~ -note: 't39' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1623:22: + 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p + | ^~~ +note: 't96' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:886:31: - 1623 | t157 = t4*rho - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:45: + 886 | *t97*t251 + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:706:55: - 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^~ -note: 't4' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1736:23: + 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p + | ^~~ +note: 't97' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:879:48: - 1736 | t454 = t40*t51 - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:49: + 879 | t244 = 0.6057068640e0_dp*t98*t230 + | ^ +Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:706:60: - 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^~~ -note: 't40' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1624:25: + 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p + | ^~~ +note: 't98' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_perdew_wang.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1118:36: - 1624 | t159 = t42*gamma - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:72: + 1118 | t808 = t216*t160*t807 + | ^ +Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized] +true +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:61: - 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & - | ^~~ -note: 't42' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1636:22: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^~~~ +note: 't216' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1033:31: - 1636 | t186 = t4*t48 - | ^ -Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:33: + 1033 | t510 = t217*t509 + | ^ +Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:67: - 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^~~ -note: 't48' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1738:23: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^~~~ +note: 't217' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1026:39: - 1738 | t458 = t49*t61 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:56: + 1026 | t499 = 0.1e1_dp/t220/t90 + | ^ +Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:85: - 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^~~ -note: 't49' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1793:88: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^~~~ +note: 't220' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1197:50: - 1793 | - t580 + t618)*t95*t237 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:61: + 1197 | + t489)*sc + | ^ +Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:91: - 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^~ -note: 't5' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1637:32: + 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & + | ^~~~ +note: 't221' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1117:31: - 1637 | t189 = 0.1e1_dp/t50/t32 - | ^ -Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:65: + 1117 | t807 = t222*t165 + | ^ +Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:10: - 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^~~ -note: 't50' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1627:25: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^~~~ +note: 't222' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: - 1627 | t167 = t51*gamma - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:88: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:22: - 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & - | ^~~ -note: 't51' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1740:24: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^~~~ +note: 't225' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: - 1740 | t462 = t59*t189 - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:27: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:28: - 1515 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & - | ^~~ -note: 't59' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1786:21: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^~~~ +note: 't226' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1197:50: - 1786 | t612 = t3*t6 - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:44: + 1197 | + t489)*sc + | ^ +Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:34: - 1515 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & - | ^~ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1632:25: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^~~~ +note: 't230' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1121:31: - 1632 | t177 = t61*gamma - | ^ -Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:48: + 1121 | t820 = t231*t165 + | ^ +Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:40: - 1515 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & - | ^~~ -note: 't61' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^~~~ +note: 't231' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: - 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1516:22: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:46: - 1516 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 - | ^~~ -note: 't65' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1675:24: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^~~~ +note: 't235' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: - 1675 | t280 = t108*t66 - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1516:51: + 1099 | *bp*t625*t565*t559 + | ^ +Warning: 't236' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:52: - 1516 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 - | ^~~ -note: 't66' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1797:24: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^~~~ +note: 't236' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1040:31: - 1797 | t638 = t578*t83 - | ^ -Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:34: + 1040 | t528 = t237*t105 + | ^ +Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:58: - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^~~ -note: 't83' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^~~~ +note: 't237' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1043:49: - 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:39: + 1043 | t538 = 0.1211413728e1_dp*t240*t508 + | ^ +Warning: 't240' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:69: - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^~~ -note: 't84' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1659:23: - - 1659 | t234 = t86*t89 - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:49: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^~~ -note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1662:27: - - 1662 | t242 = t87*t88*t93 - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:54: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^~~ -note: 't87' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1662:27: - - 1662 | t242 = t87*t88*t93 - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:59: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^~~ -note: 't88' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1659:23: - - 1659 | t234 = t86*t89 - | ^ -Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:64: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^~~ -note: 't89' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1639:23: - - 1639 | t191 = t190*t9 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:69: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^~ -note: 't9' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1664:24: - - 1664 | t249 = t90/t247 - | ^ -Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:73: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^~~ -note: 't90' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1663:22: - - 1663 | t247 = t91**2 - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:78: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^~~ -note: 't91' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1713:46: - - 1713 | (-t385 - t341 + t387)*t95*t237 - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:83: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^~~ -note: 't93' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1793:88: - - 1793 | - t580 + t618)*t95*t237 - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:88: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^~~ -note: 't94' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1793:88: - - 1793 | - t580 + t618)*t95*t237 - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:93: - - 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & - | ^~~ -note: 't95' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1713:46: - - 1713 | (-t385 - t341 + t387)*t95*t237 - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1518:15: - - 1518 | t96, t97, t99 - | ^~~ -note: 't97' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1657:33: - - 1657 | t232 = 0.1e1_dp/t100/t99 - | ^ -Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1518:20: - - 1518 | t96, t97, t99 - | ^~~ -note: 't99' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1328:86: - - 1328 | t221)*t95*t235 - t94*t97/t29 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:28: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^~~ -note: 't10' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1319:43: - - 1319 | t231 = REAL(t85, KIND=dp)/t100/t99 - | ^ -Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:33: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^~~~ -note: 't100' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1349:56: - - 1349 | - t124*t231*t259/0.24e2_dp)*sx - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:39: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^~~~ -note: 't101' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1317:27: - - 1317 | t227 = t102*R*t219 - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:45: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^~~~ -note: 't102' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1452:25: - - 1452 | t606 = t587*t103 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:51: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^~~~ -note: 't103' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1460:69: - - 1460 | t634 = (t574 + t587 - t600 - t605 - t606 + t609 + t632)*t106 - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:63: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^~~~ -note: 't106' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - - 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:69: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^~~~ -note: 't108' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1451:47: - - 1451 | t605 = t3*t450*t141*t109*t103/0.9e1_dp - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:75: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^~~~ -note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - - 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:81: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^~~~ -note: 't110' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - - 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:87: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^~~~ -note: 't114' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1464:70: - - 1464 | t655 = (-t574 - t587 + t600 - t605 - t606 + t609 + t632)*t117 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:93: - - 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & - | ^~~~ -note: 't117' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - - 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:10: - - 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^~~~ -note: 't119' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - - 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't120' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:16: - - 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^~~~ -note: 't120' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1349:56: - - 1349 | - t124*t231*t259/0.24e2_dp)*sx - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:22: - - 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^~~~ -note: 't123' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1349:56: - - 1349 | - t124*t231*t259/0.24e2_dp)*sx - | ^ -Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:28: - - 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & - | ^~~~ -note: 't124' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1271:22: - - 1271 | t129 = t5*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1167:63: - - 1167 | t153, t155, t156, t159, t16, t163, t164, t167, t168, t17, t171, t173, t174, t178, t179, & - | ^~~ -note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1276:22: - - 1276 | t139 = t21**2 - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1168:61: - - 1168 | t18, t182, t185, t186, t187, t190, t192, t193, t2, t21, t219, t22, t221, t223, t224, & - | ^~~ -note: 't21' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1446:28: - - 1446 | t587 = t23*t585*t83 - | ^ -Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1169:28: - - 1169 | t225, t227, t228, t23, t231, t232, t233, t235, t24, t240, t245, t247, t259, t261, t263, & - | ^~~ -note: 't23' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1328:86: - - 1328 | t221)*t95*t235 - t94*t97/t29 - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1170:74: - - 1170 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & - | ^~~ -note: 't29' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1312:25: - - 1312 | t182*t187 - | ^ -Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1170:89: - - 1170 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & - | ^~~ -note: 't30' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1399:23: - - 1399 | t459 = t31*t42 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1171:16: - - 1171 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 - | ^~~ -note: 't31' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1296:32: - - 1296 | t185 = 0.1e1_dp/t50/t32 - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1171:51: - - 1171 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 - | ^~~ -note: 't32' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1273:25: - - 1273 | t134 = t33*gamma - | ^ -Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1171:68: - - 1171 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 - | ^~~ -note: 't33' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1365:58: - - 1365 | *t331 - 0.80e2_dp/0.729e3_dp*t79*t178*t335 - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1173:32: - - 1173 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & - | ^~~ -note: 't39' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1282:22: - - 1282 | t153 = t4*rho - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1173:67: - - 1173 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & - | ^~ -note: 't4' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1401:23: - - 1401 | t463 = t40*t51 - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1173:71: - - 1173 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & - | ^~~ -note: 't40' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1283:25: - - 1283 | t155 = t42*gamma - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1174:16: - - 1174 | t414, t42, t423, t426, t43, t434, t443, t450, t455, t456, t459, t46, t460, t463, t464, & - | ^~~ -note: 't42' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1295:22: - - 1295 | t182 = t4*t48 - | ^ -Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1175:51: - - 1175 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & - | ^~~ -note: 't48' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1403:23: - - 1403 | t467 = t49*t61 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1175:62: - - 1175 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & - | ^~~ -note: 't49' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1457:88: - - 1457 | - t587 + t600)*t95*t235 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1176:16: - - 1176 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & - | ^~ -note: 't5' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1296:32: - - 1296 | t185 = 0.1e1_dp/t50/t32 - | ^ -Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1176:20: - - 1176 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & - | ^~~ -note: 't50' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1286:25: - - 1286 | t163 = t51*gamma - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1176:25: - - 1176 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & - | ^~~ -note: 't51' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1405:24: - - 1405 | t471 = t59*t185 - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1177:61: - - 1177 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & - | ^~~ -note: 't59' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1442:35: - - 1442 | t574 = t3*t6*t572/0.9e1_dp - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1177:72: - - 1177 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & - | ^~ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1291:25: - - 1291 | t173 = t61*gamma - | ^ -Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1178:16: - - 1178 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 - | ^~~ -note: 't61' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1385:35: - - 1385 | t414 = ndrho*t141*t65*t114 - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1178:68: - - 1178 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 - | ^~~ -note: 't65' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - - 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:24: - - 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^~~ -note: 't66' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1461:24: - - 1461 | t639 = t585*t83 - | ^ -Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:65: - - 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^~~ -note: 't83' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - - 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:70: - - 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^~~ -note: 't84' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1320:23: - - 1320 | t232 = t86*t89 - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:80: - - 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^~~ -note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1323:27: - - 1323 | t240 = t87*t88*t93 - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:85: - - 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^~~ -note: 't87' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1323:27: - - 1323 | t240 = t87*t88*t93 - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:90: - - 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^~~ -note: 't88' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1320:23: - - 1320 | t232 = t86*t89 - | ^ -Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:95: - - 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & - | ^~~ -note: 't89' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1298:23: - - 1298 | t187 = t186*t9 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:10: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^~ -note: 't9' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1325:24: - - 1325 | t247 = t90/t245 - | ^ -Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:14: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^~~ -note: 't90' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1324:22: - - 1324 | t245 = t91**2 - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:19: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^~~ -note: 't91' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1375:50: - - 1375 | t94*(-t317 - t340 + t358)*t95*t235 - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:24: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^~~ -note: 't93' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1457:88: - - 1457 | - t587 + t600)*t95*t235 - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:29: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^~~ -note: 't94' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1457:88: - - 1457 | - t587 + t600)*t95*t235 - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:34: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^~~ -note: 't95' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1375:50: - - 1375 | t94*(-t317 - t340 + t358)*t95*t235 - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:44: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^~~ -note: 't97' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1319:43: - - 1319 | t231 = REAL(t85, KIND=dp)/t100/t99 - | ^ -Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:49: - - 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 - | ^~~ -note: 't99' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_perdew_wang.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:647:49: - - 647 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248 - | ^ -Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:45: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^~~ -note: 't14' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:690:42: - - 690 | *(t262 - t235*t41*t248)) - | ^ -Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:489:65: - - 489 | REAL(KIND=dp) :: t717, t720, t723, t73, t739, t758, t762, t77, t8, t800, t803, t808, t85, & - | ^~~ -note: 't77' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:699:33: - - 699 | t445 = 0.1e1_dp/t117/t33 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:63: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^~~~ -note: 't117' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: - - 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) - | ^ -Warning: 'p' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:475:24: - - 475 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t103, t104, & - | ^ -note: 'p' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1175:75: - - 1175 | dexeindrho = dPndrho*exei(P, Q) - (dPndrho + dQndrho)/(P + Q)*EXP(-Q) - | ^ -Warning: 'q' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:475:41: - - 475 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t103, t104, & - | ^ -note: 'q' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:16: - - 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 - | ^~~ -note: 't64' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:484:42: - - 484 | t38, t382, t385, t39, t393, t4, t40, t401, t402, t404, t405, t409, t41, t42, t420, t421, & - | ^~~ -note: 't40' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:10: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^~~~ -note: 't125' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:79: - - 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & - | ^~~ -note: 't37' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:22: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^~~~ -note: 't129' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:56: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^~~~ -note: 't142' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:39: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^~~~ -note: 't136' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't163' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:28: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^~~~ -note: 't163' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:34: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^~~~ -note: 't164' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:51: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^~~~ -note: 't115' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:33: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^~~~ -note: 't195' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:718:29: - - 718 | t581 = t64*t118*t103 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:475:83: - - 475 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t103, t104, & - | ^~~~ -note: 't103' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:720:25: - - 720 | t603 = t437*t105 - | ^ -Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:10: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^~~~ -note: 't105' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:661:30: - - 661 | t314 = t312*t106*t107 - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:16: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^~~~ -note: 't106' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:702:25: - - 702 | t473 = t424*t107 - | ^ -Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:22: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^~~~ -note: 't107' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:704:30: - - 704 | t479 = t108*t429*t331 - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:28: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^~~~ -note: 't108' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:34: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^~~~ -note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:675:23: - - 675 | t373 = t73*t11 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:40: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^~~ -note: 't11' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:45: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^~~~ -note: 't113' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:723:25: - - 723 | t612 = t429*t116 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:57: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^~~~ -note: 't116' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:782:25: - - 782 | t808 = t118*t269 - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:69: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^~~~ -note: 't118' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: - - 773 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:81: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^~~ -note: 't12' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:86: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^~~~ -note: 't121' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:92: - - 476 | t105, t106, t107, t108, t109, t11, t113, t115, t116, t117, t118, t119, t12, t121, t123, & - | ^~~~ -note: 't123' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:649:24: - - 649 | t273 = t13*t269 - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:28: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^~~ -note: 't13' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:33: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^~~~ -note: 't133' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:50: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^~~~ -note: 't140' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:62: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^~~~ -note: 't143' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:68: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^~~~ -note: 't144' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:74: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^~~~ -note: 't147' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:80: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^~~~ -note: 't150' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't152' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:86: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^~~~ -note: 't152' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:477:92: - - 477 | t125, t126, t129, t13, t133, t136, t14, t140, t142, t143, t144, t147, t150, t152, t155, & - | ^~~~ -note: 't155' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:10: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^~~~ -note: 't156' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:16: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^~~~ -note: 't159' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:40: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^~~~ -note: 't167' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:635:22: - - 635 | t240 = a4*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:46: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^~~ -note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't170' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:51: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^~~~ -note: 't170' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:57: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^~~~ -note: 't173' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:63: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^~~~ -note: 't175' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:69: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^~~~ -note: 't176' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:75: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^~~~ -note: 't177' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:81: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^~~~ -note: 't178' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't181' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:87: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^~~~ -note: 't181' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:478:93: - - 478 | t156, t159, t162, t163, t164, t167, t17, t170, t173, t175, t176, t177, t178, t181, t183, & - | ^~~~ -note: 't183' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:10: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^~~~ -note: 't187' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:698:24: - - 698 | t437 = t227*t19 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:16: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^~~ -note: 't19' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:21: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^~~~ -note: 't190' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:670:34: - - 670 | t349 = 0.1e1_dp/t347*t194 - | ^ -Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:27: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^~~~ -note: 't194' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:39: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^~~~ -note: 't196' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:45: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^~~~ -note: 't199' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:55: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^~~~ -note: 't202' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:709:24: - - 709 | t504 = t429*t21 - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:479:67: - - 479 | t187, t19, t190, t194, t195, t196, t199, t2, t202, t209, t21, t214, t216, t217, t218, & - | ^~~ -note: 't21' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:647:49: - - 647 | - 0.9e1_dp/0.4e1_dp*t22*t265*t248 - | ^ -Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:480:10: - - 480 | t22, t222, t223, t224, t227, t228, t229, t232, t234, t235, t236, t237, t240, t244, t248, & - | ^~~ -note: 't22' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:714:25: - - 714 | t533 = t25*t31*C - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:481:10: - - 481 | t25, t251, t255, t256, t257, t261, t262, t265, t269, t27, t273, t276 - | ^~~ -note: 't25' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:637:63: - - 637 | t248 = 4*t237*t229 + 5*t240*t27*t218 + 6*t244*t31*t218 - | ^ -Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:481:63: - - 481 | t25, t251, t255, t256, t257, t261, t262, t265, t269, t27, t273, t276 - | ^~~ -note: 't27' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:714:25: - - 714 | t533 = t25*t31*C - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:482:63: - - 482 | REAL(KIND=dp) :: t279, t280, t281, t29, t292, t3, t308, t31, t312, t314, t318, t320, t322, & - | ^~~ -note: 't31' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:699:33: - - 699 | t445 = 0.1e1_dp/t117/t33 - | ^ -Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:10: - - 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & - | ^~~ -note: 't33' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:652:24: - - 652 | t280 = t279*t34 - | ^ -Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:33: - - 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & - | ^~~ -note: 't34' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:483:56: - - 483 | t33, t331, t334, t339, t34, t341, t347, t349, t35, t359, t362, t368, t37, t370, t373, & - | ^~~ -note: 't35' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:484:10: - - 484 | t38, t382, t385, t39, t393, t4, t40, t401, t402, t404, t405, t409, t41, t42, t420, t421, & - | ^~~ -note: 't38' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:658:27: - - 658 | *t37*t292 - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:484:27: - - 484 | t38, t382, t385, t39, t393, t4, t40, t401, t402, t404, t405, t409, t41, t42, t420, t421, & - | ^~~ -note: 't39' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:485:52: - - 485 | t424, t425, t426, t429, t430, t431, t437, t44, t445, t446, t45, t451, t46, t473, t475, & - | ^~~ -note: 't44' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:485:69: - - 485 | t424, t425, t426, t429, t430, t431, t437, t44, t445, t446, t45, t451, t46, t473, t475, & - | ^~~ -note: 't45' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:639:48: - - 639 | t255 = 0.2e1_dp/0.3e1_dp*t50*t125*t7*t4 - | ^ -Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:43: - - 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & - | ^~~ -note: 't50' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: - - 773 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:60: - - 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & - | ^~~ -note: 't51' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:71: - - 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & - | ^~~ -note: 't52' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:695:23: - - 695 | t429 = t86*t56 - | ^ -Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:487:33: - - 487 | t533, t534, t54, t541, t56, t568, t57, t58, t581, t590, t6, t60, t603, t604, t61, t611, & - | ^~~ -note: 't56' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:487:49: - - 487 | t533, t534, t54, t541, t56, t568, t57, t58, t581, t590, t6, t60, t603, t604, t61, t611, & - | ^~~ -note: 't58' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:487:66: - - 487 | t533, t534, t54, t541, t56, t568, t57, t58, t581, t590, t6, t60, t603, t604, t61, t611, & - | ^~ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:816:81: - - 816 | + 0.4e1_dp/0.9e1_dp*t195*qndrho*t199)*Clda)*sx - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:27: - - 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 - | ^~~ -note: 't65' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: - - 761 | Clda)*sx - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:61: - - 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 - | ^~ -note: 't7' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:766:38: - - 766 | t677 = F1*t279*t34 - t71*t675 - | ^ -Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:65: - - 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 - | ^~~ -note: 't71' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:716:23: - - 716 | t541 = t73*t21 - | ^ -Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:489:42: - - 489 | REAL(KIND=dp) :: t717, t720, t723, t73, t739, t758, t762, t77, t8, t800, t803, t808, t85, & - | ^~~ -note: 't73' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:690:42: - - 690 | *(t262 - t235*t41*t248)) - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:489:92: - - 489 | REAL(KIND=dp) :: t717, t720, t723, t73, t739, t758, t762, t77, t8, t800, t803, t808, t85, & - | ^~~ -note: 't85' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:695:23: - - 695 | t429 = t86*t56 - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:10: - - 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 - | ^~~ -note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:703:29: - - 703 | t475 = t473*t87*t218 - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:15: - - 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 - | ^~~ -note: 't87' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: - - 773 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:20: - - 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 - | ^~~ -note: 't88' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: - - 773 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:35: - - 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 - | ^~~ -note: 't93' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:690:42: - - 690 | *(t262 - t235*t41*t248)) - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:40: - - 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 - | ^~~ -note: 't94' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: - - 773 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:45: - - 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 - | ^~~ -note: 't95' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:773:46: - - 773 | t409*(t281 - t235*t41*t292)) - | ^ -Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:490:55: - - 490 | t86, t87, t88, t91, t92, t93, t94, t95, t98, t99 - | ^~~ -note: 't99' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:667:25: - - 667 | t339 = EXP(-t53) - | ^ -Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:94: - - 486 | t479, t48, t484, t497, t498, t5, t50, t503, t504, t51, t517, t52, t523, t524, t527, t53, & - | ^~~ -note: 't53' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:813:82: - - 813 | t121 - t24*(t134*t10 + 0.3177280975e0_dp*t137*t121)*t38) - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:683:71: - - 683 | REAL(KIND=dp) :: ap, bp, cp, myrho, myrhoa, myrhob, Qf, Qp, t1, t10, t100, t101, t1019, & - | ^~~ -note: 't10' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:803:30: - - 803 | t125 = t124*t11 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:41: - - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^~~ -note: 't11' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:794:28: - - 794 | t113 = t16**2 - | ^ -Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:51: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^~~ -note: 't16' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:857:75: - - 857 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc - | ^ -Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:16: - - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^~ -note: 't2' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:813:82: - - 813 | t121 - t24*(t134*t10 + 0.3177280975e0_dp*t137*t121)*t38) - | ^ -Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:64: - - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^~~ -note: 't24' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:808:39: - - 808 | t133 = t26**(-0.20e1_dp) - | ^ -Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:690:89: - - 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & - | ^~~ -note: 't26' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:806:29: - - 806 | t130 = t27*t96 - | ^ -Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:691:34: - - 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & - | ^~~ -note: 't27' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:852:32: - - 852 | t206 = -t3 - t146 - | ^ -Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:692:45: - - 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & - | ^~ -note: 't3' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:810:30: - - 810 | t136 = t32*t114 - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:693:16: - - 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & - | ^~~ -note: 't32' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:813:82: - - 813 | t121 - t24*(t134*t10 + 0.3177280975e0_dp*t137*t121)*t38) - | ^ -Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:694:87: - - 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & - | ^~~ -note: 't38' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:792:46: - - 792 | t109 = t4**(-0.3333333332e0_dp) - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:695:58: - - 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & - | ^~ -note: 't4' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:857:75: - - 857 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:696:28: - - 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^~~ -note: 't42' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:815:29: - - 815 | t146 = t43*t91 - | ^ -Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:696:69: - - 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 - | ^~~ -note: 't43' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:814:43: - - 814 | t145 = t45**0.333333333e0_dp - | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:697:59: - - 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & - | ^~~ -note: 't45' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:817:43: - - 817 | t150 = t48**0.333333333e0_dp - | ^ -Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:698:58: - - 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & - | ^~~ -note: 't48' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:824:29: - - 824 | t161 = t5*t160 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:699:28: - - 699 | t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & - | ^~ -note: 't5' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:848:30: - - 848 | t203 = t51*t202 - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:699:68: - - 699 | t494, t497, t499, t5, t500, t501, t504, t505, t508, t509, t51, t510, t513, t516, t519, & - | ^~~ -note: 't51' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:847:26: - - 847 | t144 - | ^ -Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:700:52: - - 700 | t522, t525, t526, t528, t531, t536, t538, t54, t540, t541, t549, t55, t559, t563, t565, & - | ^~~ -note: 't54' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:838:30: - - 838 | t184 = t183*t55 - | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:700:75: - - 700 | t522, t525, t526, t528, t531, t536, t538, t54, t540, t541, t549, t55, t559, t563, t565, & - | ^~~ -note: 't55' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:829:28: - - 829 | t172 = t59**2 - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:701:45: - - 701 | t567, t570, t573, t58, t583, t589, t59, t595, t596, t6, t601, t603, t613, t62, t625, t64, & - | ^~~ -note: 't59' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:847:26: - - 847 | t144 - | ^ -Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:702:16: - - 702 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & - | ^~~ -note: 't67' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:841:39: - - 841 | t190 = t68**(-0.20e1_dp) - | ^ -Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:702:21: - - 702 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & - | ^~~ -note: 't68' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:839:30: - - 839 | t187 = t69*t160 - | ^ -Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:702:26: - - 702 | t665, t67, t68, t69, t690, t693, t696, t7, t705, t71, t710, t719, t720, t721, t727, t729, & - | ^~~ -note: 't69' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:843:30: - - 843 | t193 = t74*t173 - | ^ -Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:703:16: - - 703 | t732, t74, t743, t745, t748, t752, t755, t758, t769, t78 - | ^~~ -note: 't74' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:847:26: - - 847 | t144 - | ^ -Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:704:42: - - 704 | REAL(KIND=dp) :: t792, t793, t798, t80, t800, t804, t807, t808, t810, t814, t820, t823, & - | ^~~ -note: 't80' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:855:30: - - 855 | t213 = t212*t85 - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:34: - - 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^~~ -note: 't85' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:857:75: - - 857 | e_b(ip) = e_b(ip) + ((t144 + t213 + t203)*t2 + t42 + t86)*sc - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:51: - - 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^~~ -note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:973:31: - - 973 | t413 = t412*t101 - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:683:82: - - 683 | REAL(KIND=dp) :: ap, bp, cp, myrho, myrhoa, myrhob, Qf, Qp, t1, t10, t100, t101, t1019, & - | ^~~~ -note: 't101' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:883:32: - - 883 | *t102*t231 - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:10: - - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^~~~ -note: 't102' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:929:60: - - 929 | *t325*t287)*t38) - | ^ -Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:23: - - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^~~~ -note: 't105' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:889:31: - - 889 | t259 = t108*t258 - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:29: - - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^~~~ -note: 't108' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:955:31: - - 955 | t377 = t376*t109 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:35: - - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^~~~ -note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:929:60: - - 929 | *t325*t287)*t38) - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:46: - - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^~~~ -note: 't110' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:898:29: - - 898 | t279 = t113**2 - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:52: - - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^~~~ -note: 't113' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:896:31: - - 896 | t273 = t115*t245 - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:64: - - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^~~~ -note: 't115' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:929:60: - - 929 | *t325*t287)*t38) - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:70: - - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^~~~ -note: 't116' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:903:40: - - 903 | t286 = 0.1e1_dp/t284*t117 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:76: - - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^~~~ -note: 't117' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:902:29: - - 902 | t284 = t119**2 - | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:82: - - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^~~~ -note: 't119' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:897:31: - - 897 | t276 = t231*t120 - | ^ -Warning: 't120' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:88: - - 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & - | ^~~~ -note: 't120' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:905:30: - - 905 | t291 = t124*t96 - | ^ -Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:10: - - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^~~~ -note: 't124' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:913:43: - - 913 | t302*t237 - t130*t251 - | ^ -Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:16: - - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^~~~ -note: 't125' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:909:31: - - 909 | t299 = t126*t230 - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:22: - - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^~~~ -note: 't126' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: - - 993 | *t443*t408)*t80) - t332 - | ^ -Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:28: - - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^~~~ -note: 't127' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:913:43: - - 913 | t302*t237 - t130*t251 - | ^ -Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:34: - - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^~~~ -note: 't130' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:916:31: - - 916 | t310 = t132*t309 - | ^ -Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:40: - - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^~~~ -note: 't132' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:914:31: - - 914 | t307 = t306*t133 - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:46: - - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^~~~ -note: 't133' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:929:60: - - 929 | *t325*t287)*t38) - | ^ -Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:52: - - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^~~~ -note: 't134' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:920:31: - - 920 | t319 = t136*t245 - | ^ -Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:58: - - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^~~~ -note: 't136' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:929:60: - - 929 | *t325*t287)*t38) - | ^ -Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:64: - - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^~~~ -note: 't137' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:995:35: - - 995 | t455 = 0.2e1_dp*t144 - | ^ -Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:75: - - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^~~~ -note: 't144' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1001:30: - - 1001 | t461 = t145*t43 - | ^ -Warning: 't145' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:81: - - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^~~~ -note: 't145' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1000:31: - - 1000 | t458 = t333*t147 - | ^ -Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:93: - - 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & - | ^~~~ -note: 't147' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1003:30: - - 1003 | t467 = t150*t43 - | ^ -Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:15: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^~~~ -note: 't150' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1002:31: - - 1002 | t464 = t342*t151 - | ^ -Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:21: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^~~~ -note: 't151' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:940:31: - - 940 | t351 = t154*t202 - | ^ -Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:27: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^~~~ -note: 't154' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1010:48: - - 1010 | + t213)*sc - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:33: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^~~~ -note: 't155' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:954:32: - - 954 | *t161*t373 - | ^ -Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:39: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^~~~ -note: 't156' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:946:39: - - 946 | t363 = 0.1e1_dp/t159/t54 - | ^ -Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:45: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^~~~ -note: 't159' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:972:31: - - 972 | t412 = t183*t160 - | ^ -Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:56: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^~~~ -note: 't160' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:954:32: - - 954 | *t161*t373 - | ^ -Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:62: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^~~~ -note: 't161' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:951:32: - - 951 | *t162*t231 - | ^ -Warning: 't162' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:68: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^~~~ -note: 't162' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: - - 993 | *t443*t408)*t80) - t332 - | ^ -Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:74: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^~~~ -note: 't165' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:956:31: - - 956 | t380 = t168*t258 - | ^ -Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:80: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^~~~ -note: 't168' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: - - 993 | *t443*t408)*t80) - t332 - | ^ -Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:86: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^~~~ -note: 't169' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:965:29: - - 965 | t400 = t172**2 - | ^ -Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:92: - - 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & - | ^~~~ -note: 't172' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:963:31: - - 963 | t394 = t174*t245 - | ^ -Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:16: - - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^~~~ -note: 't174' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: - - 993 | *t443*t408)*t80) - t332 - | ^ -Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:22: - - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^~~~ -note: 't175' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:970:40: - - 970 | t407 = 0.1e1_dp/t405*t176 - | ^ -Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:28: - - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^~~~ -note: 't176' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:969:29: - - 969 | t405 = t178**2 - | ^ -Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:34: - - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^~~~ -note: 't178' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:964:31: - - 964 | t397 = t231*t179 - | ^ -Warning: 't179' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:40: - - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^~~~ -note: 't179' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:972:31: - - 972 | t412 = t183*t160 - | ^ -Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:52: - - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^~~~ -note: 't183' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:977:43: - - 977 | t420*t365 - t187*t373 - | ^ -Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:58: - - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^~~~ -note: 't184' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:977:43: - - 977 | t420*t365 - t187*t373 - | ^ -Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:64: - - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^~~~ -note: 't187' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:980:31: - - 980 | t428 = t189*t427 - | ^ -Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:70: - - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^~~~ -note: 't189' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:978:31: - - 978 | t425 = t424*t190 - | ^ -Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:81: - - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^~~~ -note: 't190' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: - - 993 | *t443*t408)*t80) - t332 - | ^ -Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:87: - - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^~~~ -note: 't191' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:984:31: - - 984 | t437 = t193*t245 - | ^ -Warning: 't193' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:93: - - 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & - | ^~~~ -note: 't193' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: - - 993 | *t443*t408)*t80) - t332 - | ^ -Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:10: - - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^~~~ -note: 't194' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1007:31: - - 1007 | t472 = t212*t202 - | ^ -Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:20: - - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^~~~ -note: 't202' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:996:35: - - 996 | t457 = 0.2e1_dp*t203 - | ^ -Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:26: - - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^~~~ -note: 't203' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1011:29: - - 1011 | t475 = t206**2 - | ^ -Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:32: - - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^~~~ -note: 't206' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1013:29: - - 1013 | t482 = t209**2 - | ^ -Warning: 't209' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:38: - - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^~~~ -note: 't209' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1007:31: - - 1007 | t472 = t212*t202 - | ^ -Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:49: - - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^~~~ -note: 't212' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1020:102: - - 1020 | e_bb(ip) = e_bb(ip) + ((t332 + t489 + t490 + t452)*t2 + t455 + 0.2e1_dp*t213 + t457)*sc - | ^ -Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:55: - - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^~~~ -note: 't213' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:944:30: - - 944 | t356 = t88*t160 - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:80: - - 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^~~ -note: 't88' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:886:31: - - 886 | *t97*t251 - | ^ -Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:85: - - 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^~~ -note: 't89' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:871:37: - - 871 | t230 = 0.1e1_dp/t90/t2 - | ^ -Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:90: - - 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^~~ -note: 't90' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:958:30: - - 958 | t382 = t381*t91 - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:95: - - 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & - | ^~~ -note: 't91' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:945:30: - - 945 | t357 = t92*t165 - | ^ -Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:706:10: - - 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p - | ^~~ -note: 't92' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:873:38: - - 873 | t235 = 0.1e1_dp/t95/t10 - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:706:21: - - 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p - | ^~~ -note: 't95' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:905:30: - - 905 | t291 = t124*t96 - | ^ -Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:706:44: - - 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p - | ^~~ -note: 't96' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:886:31: - - 886 | *t97*t251 - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:706:55: - - 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p - | ^~~ -note: 't97' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:879:48: - - 879 | t244 = 0.6057068640e0_dp*t98*t230 - | ^ -Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:706:60: - - 706 | t92, t947, t95, t950, t953, t956, t96, t967, t97, t98, t984, t986, t990, x0p - | ^~~ -note: 't98' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1118:36: - - 1118 | t808 = t216*t160*t807 - | ^ -Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:61: - - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^~~~ -note: 't216' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1033:31: - - 1033 | t510 = t217*t509 - | ^ -Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:67: - - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^~~~ -note: 't217' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1026:39: - - 1026 | t499 = 0.1e1_dp/t220/t90 - | ^ -Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:85: - - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^~~~ -note: 't220' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1197:50: - - 1197 | + t489)*sc - | ^ -Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:91: - - 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & - | ^~~~ -note: 't221' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1117:31: - - 1117 | t807 = t222*t165 - | ^ -Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:10: - - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^~~~ -note: 't222' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: - - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:22: - - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^~~~ -note: 't225' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: - - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:28: - - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^~~~ -note: 't226' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1197:50: - - 1197 | + t489)*sc - | ^ -Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:34: - - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^~~~ -note: 't230' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1121:31: - - 1121 | t820 = t231*t165 - | ^ -Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:40: - - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^~~~ -note: 't231' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: - - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:46: - - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^~~~ -note: 't235' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: - - 1099 | *bp*t625*t565*t559 - | ^ -Warning: 't236' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:52: - - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^~~~ -note: 't236' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1040:31: - - 1040 | t528 = t237*t105 - | ^ -Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:58: - - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^~~~ -note: 't237' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1043:49: - - 1043 | t538 = 0.1211413728e1_dp*t240*t508 - | ^ -Warning: 't240' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:69: - - 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 - | ^~~~ -note: 't240' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1149:51: + 689 | t222, t223, t225, t226, t230, t231, t235, t236, t237, t24, t240 + | ^~~~ +note: 't240' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1149:51: 1149 | - 0.1588640487e1_dp*t437*t860 | ^ @@ -15681,6 +14606,7 @@ 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^~~~ note: 't259' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_perdew86.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_perdew86.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: 1099 | *bp*t625*t565*t559 @@ -16561,18087 +15487,17056 @@ 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^~~~ note: 't490' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_mm.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1155:24: - 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:28: + 1155 | t206 = t1*ndrho + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:82: - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^~~~ -note: 't102' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1043:53: + 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^~ +note: 't1' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1224:22: - 1043 | t487 = t459*t160 + t472*t103 - t86*t211*t484 - | ^ + 1224 | t328 = t3*t10 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:86: + + 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^~~ +note: 't10' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1198:25: + + 1198 | t288 = t100*t139 + | ^ +Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:91: + + 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^~~~ +note: 't100' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1200:55: + + 1200 | /0.3e1_dp*t288*t142 - (4._dp*t101*t146) + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:991:10: + + 991 | t101, t1019, t103, t104, t1051, t1056, t1062, t1066, t1069, t107, t1073, t1076, t1080, & + | ^~~~ +note: 't101' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1196:25: + + 1196 | t280 = t197*t103 + | ^ Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:34: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:991:23: - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^~~~ + 991 | t101, t1019, t103, t104, t1051, t1056, t1062, t1066, t1069, t107, t1073, t1076, t1080, & + | ^~~~ note: 't103' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1253:46: - 1049 | /0.2e1_dp))*sx - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:46: + 1253 | t383 = (2._dp*t343*t104 + t79*t380)*E + | ^ +Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:991:29: - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^~~~ -note: 't106' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: + 991 | t101, t1019, t103, t104, t1051, t1056, t1062, t1066, t1069, t107, t1073, t1076, t1080, & + | ^~~~ +note: 't104' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1233:59: - 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ + 1233 | *t107*t301 + t111*(t304 + t329*t335))*Clda + | ^ Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:52: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:991:70: - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^~~~ + 991 | t101, t1019, t103, t104, t1051, t1056, t1062, t1066, t1069, t107, t1073, t1076, t1080, & + | ^~~~ note: 't107' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:970:29: - - 970 | t255 = t21*t106*t108 - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:58: - - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^~~~ -note: 't108' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:969:25: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1267:66: - 969 | t249 = t109*t102 - | ^ + 1267 | - 3._dp*t107*t385 + t111*(t388 + t403*t335))*Clda + | ^ Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:64: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:10: - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^~~~ + 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, & + | ^~~~ note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1112:24: - 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:70: + 1112 | t131 = t11*t130 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:30: - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^~~~ -note: 't110' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: + 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, & + | ^~~ +note: 't11' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1182:85: - 1049 | /0.2e1_dp))*sx - | ^ -Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:76: + 1182 | *t248) - t113*t251 + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:54: - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^~~~ -note: 't111' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: + 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, & + | ^~~~ +note: 't113' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1175:25: - 1049 | /0.2e1_dp))*sx - | ^ -Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:82: + 1175 | t241 = t114*t240 + | ^ +Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:60: - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^~~~ -note: 't112' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: + 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, & + | ^~~~ +note: 't114' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1213:25: - 1049 | /0.2e1_dp))*sx - | ^ + 1213 | t315 = t314*t115 + | ^ Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:88: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:66: - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^~~~ + 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, & + | ^~~~ note: 't115' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1263:67: - 1049 | /0.2e1_dp))*sx - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:94: + 1263 | t401 = 2._dp*t389*t116 + t113*t393 - t113*t396 - t113*t399 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:79: - 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & - | ^~~~ -note: 't117' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:929:53: + 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, & + | ^~~~ +note: 't116' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1110:23: - 929 | t42*t23*t124*t16 - t154*t131/0.8e1_dp - | ^ + 1110 | t129 = t12*rho + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:10: + + 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & + | ^~~ +note: 't12' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1234:70: + + 1234 | e_rho = e_rho + (-0.4e1_dp/0.3e1_dp*t235*t122 - t76*t340)*sx0 + | ^ +Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:22: + + 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & + | ^~~~ +note: 't122' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1145:23: + + 1145 | t190 = t42*t13 + | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:52: + + 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & + | ^~~ +note: 't13' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1142:24: + + 1142 | t186 = t14*t185 + | ^ +Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:93: + + 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & + | ^~~ +note: 't14' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1194:24: + + 1194 | t276 = t15*t103 + | ^ +Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:40: + + 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & + | ^~~ +note: 't15' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1251:47: + + 1251 | t379 = 2._dp*t372*t16 + 4._dp*t376*t29 + | ^ Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:824:76: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:93: - 824 | t124, t131, t134, t137, t138, t142, t143, t154, t157, t158, t159, t16, t160, t162, t165, & - | ^~~ + 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & + | ^~~ note: 't16' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:933:22: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1163:22: - 933 | t162 = t4*t17 + 1163 | t219 = a4*t18 | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:825:22: +Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:52: - 825 | t167, t168, t17, t176, t180, t181, t184, t185, t188, t19, t190, t191, t195, t196, t199, & - | ^~~ -note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:965:21: + 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + | ^~~ +note: 't18' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1117:24: - 965 | *t204 - | ^ + 1117 | t140 = t19*t139 + | ^ Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:825:63: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:93: - 825 | t167, t168, t17, t176, t180, t181, t184, t185, t188, t19, t190, t191, t195, t196, t199, & - | ^~~ + 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + | ^~~ note: 't19' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:968:29: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1108:23: - 968 | t248 = t21*t106/t245 - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:826:49: + 1108 | t125 = t2*t124 + | ^ +Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:46: - 826 | t2, t20, t202, t203, t204, t207, t208, t21, t210, t211, t22, t23, t237, t24, t240, t245, & - | ^~~ -note: 't21' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1034:32: + 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 + | ^~ +note: 't2' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1122:53: - 1034 | t42*t43/0.4e1_dp + 1122 | 0.3e1_dp*t140*t142 - (4._dp*t22*t146) + | ^ +Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:71: + + 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & + | ^~~ +note: 't22' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1120:27: + + 1120 | t146 = t24*t44*t28 + | ^ +Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:40: + + 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + | ^~~ +note: 't24' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1136:32: + + 1136 | t173 = 0.1e1_dp/t25/t12 | ^ Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:827:22: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:75: - 827 | t248, t249, t25, t255, t256, t258, t26, t265, t267, t272, t285, t288, t289, t29, t297, & - | ^~~ + 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + | ^~~ note: 't25' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:929:53: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1118:23: - 929 | t42*t23*t124*t16 - t154*t131/0.8e1_dp - | ^ + 1118 | t141 = t26*t28 + | ^ Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:827:45: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:28: - 827 | t248, t249, t25, t255, t256, t258, t26, t265, t267, t272, t285, t288, t289, t29, t297, & - | ^~~ + 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + | ^~~ note: 't26' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1120:27: - 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:16: + 1120 | t146 = t24*t44*t28 + | ^ +Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:87: - 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & - | ^~ -note: 't3' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:921:22: + 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + | ^~~ +note: 't28' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1251:47: - 921 | t137 = t3*t32 - | ^ + 1251 | t379 = 2._dp*t372*t16 + 4._dp*t376*t29 + | ^ +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:22: + + 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + | ^~~ +note: 't29' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1228:28: + + 1228 | t332 = 0.1e1_dp/t31 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:91: + + 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + | ^~~ +note: 't31' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1128:24: + + 1128 | t157 = t32*t156 + | ^ Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:60: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:46: - 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & - | ^~~ + 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & + | ^~~ note: 't32' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:919:40: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1130:24: - 919 | t131 = 0.1e1_dp/t4/t33*gamma*t9 - | ^ + 1130 | t159 = t33*t139 + | ^ Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:77: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:10: - 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & - | ^~~ + 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & + | ^~~ note: 't33' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1011:23: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1140:73: - 1011 | t387 = t34*t62 - | ^ + 1140 | /0.3e1_dp*t167*t169 - (5._dp*t40*t175) - (8._dp*t53*t181) + | ^ Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:88: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:51: - 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & - | ^~~ + 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & + | ^~~ note: 't34' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:948:32: - - 948 | t202 = 0.1e1_dp/t70/t35 - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:829:10: - - 829 | t35, t356, t36, t37, t376, t377, t382, t383, t387, t388, t391 - | ^~~ -note: 't35' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:935:25: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1165:26: - 935 | t167 = t36*gamma - | ^ + 1165 | t224 = a5*t36*t52 + | ^ Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:829:21: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:22: - 829 | t35, t356, t36, t37, t376, t377, t382, t383, t387, t388, t391 - | ^~~ + 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 + | ^~~ note: 't36' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:985:51: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1133:24: - 985 | ndrho/0.9e1_dp + t154*t285/0.4e1_dp - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:48: + 1133 | t167 = t37*t166 + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:51: - 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & - | ^~ -note: 't4' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:920:28: + 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 + | ^~~ +note: 't37' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1140:73: - 920 | t134 = 0.1e1_dp/t41 - | ^ -Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:70: + 1140 | /0.3e1_dp*t167*t169 - (5._dp*t40*t175) - (8._dp*t53*t181) + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:26: - 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & - | ^~~ -note: 't41' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:925:23: + 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & + | ^~~ +note: 't40' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1145:23: - 925 | t154 = t42*t23 + 1145 | t190 = t42*t13 | ^ Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:87: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:85: - 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & - | ^~~ + 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & + | ^~~ note: 't42' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1009:31: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1134:23: - 1009 | - t42*t43*gamma - | ^ -Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:92: + 1134 | t168 = t44*t46 + | ^ +Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1006:34: - 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & - | ^~~ -note: 't43' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:930:28: + 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, & + | ^~~ +note: 't44' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1137:28: - 930 | t158 = 0.1e1_dp/t47 + 1137 | t175 = t42*t173*t46 | ^ -Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:831:28: +Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1006:69: - 831 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & - | ^~~ -note: 't47' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:967:22: + 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, & + | ^~~ +note: 't46' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1166:64: - 967 | t245 = t49**2 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:831:62: + 1166 | t227 = 4._dp*t216*t29 + 5._dp*t220*t47 + 6._dp*t224*t63 + | ^ +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1006:86: - 831 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & - | ^~~ -note: 't49' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1006:22: + 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, & + | ^~~ +note: 't47' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1122:53: - 1006 | t376 = t5*t36 - | ^ + 1122 | 0.3e1_dp*t140*t142 - (4._dp*t22*t146) + | ^ Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:831:67: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1006:91: - 831 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & - | ^~ + 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, & + | ^~ note: 't5' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:998:58: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1140:73: - 998 | *t313 - 0.80e2_dp/0.729e3_dp*t99*t195*t317 - | ^ + 1140 | /0.3e1_dp*t167*t169 - (5._dp*t40*t175) - (8._dp*t53*t181) + | ^ +Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1007:51: + + 1007 | t504, t508, t509, t515, t516, t52, t520, t53, t535, t54, t543, t552, t56, t567, t574, & + | ^~~ +note: 't53' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1138:31: + + 1138 | t181 = t58/t59/rho*t61 + | ^ Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:15: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1008:15: - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, & | ^~~ note: 't59' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1034:32: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1138:31: - 1034 | t42*t43/0.4e1_dp - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:20: + 1138 | t181 = t58/t59/rho*t61 + | ^ +Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1008:36: - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^~ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1013:23: + 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, & + | ^~~ +note: 't61' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1166:64: - 1013 | t391 = t60*t71 - | ^ -Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:24: + 1166 | t227 = 4._dp*t216*t29 + 5._dp*t220*t47 + 6._dp*t224*t63 + | ^ +Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1008:47: - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^~~ -note: 't60' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:923:25: + 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, & + | ^~~ +note: 't63' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1229:24: - 923 | t142 = t62*gamma + 1229 | t333 = t332*t65 + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1008:70: + + 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, & + | ^~~ +note: 't65' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1169:25: + + 1169 | t231 = t66*ndrho | ^ -Warning: 't62' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:29: +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1008:87: - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^~~ -note: 't62' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:947:22: + 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, & + | ^~~ +note: 't66' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1124:24: - 947 | t199 = t3*t68 - | ^ + 1124 | t151 = t150*t67 + | ^ +Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1008:92: + + 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, & + | ^~~ +note: 't67' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1152:81: + + 1152 | *t68*t199) + | ^ Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:49: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1009:22: - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^~~ + 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, & + | ^~~ note: 't68' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1015:23: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1150:28: - 1015 | t395 = t69*t81 - | ^ + 1150 | t199 = t69*t197*t71 + | ^ Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:54: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1009:33: - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^~~ + 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, & + | ^~~ note: 't69' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:948:32: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1252:24: - 948 | t202 = 0.1e1_dp/t70/t35 - | ^ + 1252 | t380 = t70*t379 + | ^ Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:59: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1009:42: - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^~~ + 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, & + | ^~~ note: 't70' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:938:25: - - 938 | t180 = t71*gamma - | ^ -Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:64: - - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^~~ -note: 't71' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1017:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: - 1017 | t399 = t79*t202 - | ^ -Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:89: + 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) + | ^ +Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1009:58: - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^~~ -note: 't79' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:943:25: + 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, & + | ^~~ +note: 't72' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1171:56: - 943 | t190 = t81*gamma - | ^ -Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:94: + 1171 | dQndrho = t213*t73 - t157*t229 + 2._dp*t232*t73 + | ^ +Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1009:63: - 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & - | ^~~ -note: 't81' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:932:24: + 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, & + | ^~~ +note: 't73' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1172:23: - 932 | t160 = t85*t103 - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:15: + 1172 | t235 = t74*f89 + | ^ +Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1009:68: - 833 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval - | ^~~ -note: 't85' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: + 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, & + | ^~~ +note: 't74' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1234:70: - 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:20: + 1234 | e_rho = e_rho + (-0.4e1_dp/0.3e1_dp*t235*t122 - t76*t340)*sx0 + | ^ +Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1009:79: - 833 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval - | ^~~ -note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:950:23: + 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, & + | ^~~ +note: 't76' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1211:24: - 950 | t204 = t203*t9 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:30: + 1211 | t311 = t78*t131 + | ^ +Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1010:22: - 833 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval - | ^~ -note: 't9' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_num.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:594:39: + 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84 + | ^~~ +note: 't78' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1182:85: - 594 | t306 = 0.1e1_dp/t10/t224 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:81: + 1182 | *t248) - t113*t251 + | ^ +Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1010:27: - 273 | REAL(KIND=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t1000, t1002, & - | ^~~ -note: 't10' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:635:71: + 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84 + | ^~~ +note: 't79' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1176:24: - 635 | *t322 + 0.40e1_dp*t102*t329 - 0.20e1_dp*t102*t376 - | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:45: + 1176 | t244 = t197*t80 + | ^ +Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1010:36: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^~~~ -note: 't102' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:605:39: + 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84 + | ^~~ +note: 't80' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1241:53: - 605 | t326 = 0.1e1_dp/t103/t35 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:72: + 1241 | t352 = 2._dp*t343*t81 + t79*t347 - t113*t350 + | ^ +Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1010:47: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^~~~ -note: 't103' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:600:30: + 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84 + | ^~~ +note: 't81' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1230:24: - 600 | t316 = t97*t104 - | ^ -Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:17: + 1230 | t334 = t333*t83 + | ^ +Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1010:76: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^~~~ -note: 't104' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:747:31: + 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84 + | ^~~ +note: 't83' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1214:24: - 747 | t646 = t105*t645 - | ^ -Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:44: + 1214 | t317 = t154*t84 + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1010:81: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^~~~ -note: 't105' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1462:31: + 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84 + | ^~~ +note: 't84' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1188:35: - 1462 | t2204 = t10*t106 - | ^ -Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:92: + 1188 | t266 = t263*t66 - t86*t250 + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1011:54: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^~~~ -note: 't106' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: + 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, & + | ^~~ +note: 't86' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1186:24: - 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 - | ^ -Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:45: + 1186 | t260 = t197*t88 + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1011:77: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^~~~ -note: 't107' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:741:45: + 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, & + | ^~~ +note: 't88' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1245:47: - 741 | t635 = -4*t108 + 4*t332*my_rho - | ^ -Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:72: + 1245 | t364 = f12*(2._dp*t343*t89 + t79*t361) + | ^ +Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1011:82: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^~~~ -note: 't108' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:738:30: + 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, & + | ^~~ +note: 't89' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1116:27: - 738 | t624 = beta*t11 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:31: + 1116 | t139 = t21/t9/t136 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1011:87: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^~~ -note: 't11' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:750:49: + 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, & + | ^~ +note: 't9' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1233:59: - 750 | *t615 - 0.20e1_dp*t102*t646 - | ^ -Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:78: + 1233 | *t107*t301 + t111*(t304 + t329*t335))*Clda + | ^ +Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1012:22: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^~~~ -note: 't112' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:620:81: + 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989 + | ^~~ +note: 't92' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1204:22: - 620 | t360 = 0.28e2_dp/0.3e1_dp*t122*t114 - 0.28e2_dp/0.3e1_dp*t356*t357 - | ^ -Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:38: + 1204 | t299 = t93**2 + | ^ +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1012:27: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^~~~ -note: 't114' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1188:50: + 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989 + | ^~~ +note: 't93' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1183:24: - 1188 | t1636 = 0.5600000000e2_dp*t624*t115 - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:72: + 1183 | t254 = t94*t253 + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1012:32: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^~~~ -note: 't115' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: + 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989 + | ^~~ +note: 't94' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1233:59: - 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:92: + 1233 | *t107*t301 + t111*(t304 + t329*t335))*Clda + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1012:37: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^~~~ -note: 't116' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:631:32: + 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989 + | ^~~ +note: 't95' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1197:24: - 631 | *t366*t372 - | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:45: + 1197 | t283 = t97*t124 + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1012:42: - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^~~~ -note: 't119' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:596:28: + 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989 + | ^~~ +note: 't97' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1200:55: - 596 | t308 = t12**2 - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:31: + 1200 | /0.3e1_dp*t288*t142 - (4._dp*t101*t146) + | ^ +Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1012:47: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^~~ -note: 't12' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:620:81: + 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989 + | ^~~ +note: 't98' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 620 | t360 = 0.28e2_dp/0.3e1_dp*t122*t114 - 0.28e2_dp/0.3e1_dp*t356*t357 - | ^ -Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:85: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:28: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^~~~ -note: 't122' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: + 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & + | ^~~~ +note: 't124' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1283:55: - 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:17: + 1283 | /0.3e1_dp*t140*t434 + (20._dp*t22*t438) + | ^ +Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:34: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^~~~ -note: 't123' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: + 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & + | ^~~~ +note: 't125' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 - | ^ + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:65: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:40: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^~~~ + 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & + | ^~~~ note: 't126' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:809:44: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1294:49: - 809 | t796 = 0.1e1_dp/t787/t13*t795 - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:31: + 1294 | t12*t61) + | ^ +Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:46: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^~~ -note: 't13' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:626:40: + 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & + | ^~~~ +note: 't129' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1297:24: - 626 | t371 = 0.1e1_dp/t131/t130 - | ^ + 1297 | t515 = t42*t130 + | ^ Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:36: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:57: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^~~~ + 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & + | ^~~~ note: 't130' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:626:40: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1398:132: - 626 | t371 = 0.1e1_dp/t131/t130 - | ^ + 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 + | ^ Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:70: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:63: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^~~~ + 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & + | ^~~~ note: 't131' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 - | ^ + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:83: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:69: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^~~~ + 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & + | ^~~~ note: 't132' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: - - 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:10: - - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^~~~ -note: 't133' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:604:31: - - 604 | t322 = t316*t136 - | ^ -Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:44: - - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^~~~ -note: 't136' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:750:49: - - 750 | *t615 - 0.20e1_dp*t102*t646 - | ^ -Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:71: - - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^~~~ -note: 't137' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 - | ^ -Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:45: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't139' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:87: - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^~~ -note: 't14' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:783:70: + 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & + | ^~~~ +note: 't139' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1283:55: - 783 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735 - | ^ + 1283 | /0.3e1_dp*t140*t434 + (20._dp*t22*t438) + | ^ Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:50: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:10: - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^~~~ + 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & + | ^~~~ note: 't140' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1278:25: - 714 | t46*t541))*sx - | ^ + 1278 | t430 = t141*t135 + | ^ Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:84: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:16: - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^~~~ + 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & + | ^~~~ note: 't141' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 714 | t46*t541))*sx - | ^ -Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:80: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:22: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^~~~ -note: 't144' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:641:31: + 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & + | ^~~~ +note: 't142' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 641 | t393 = t392*t149 - | ^ + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:28: + + 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & + | ^~~~ +note: 't146' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: + + 1380 | *t331*t333*t253) + | ^ Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:73: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:34: - 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & - | ^~~~ + 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & + | ^~~~ note: 't149' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:656:32: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: - 656 | t428 = omega*t150 - | ^ + 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) + | ^ Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:22: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:45: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & - | ^~~~ + 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & + | ^~~~ note: 't150' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:647:30: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1305:53: - 647 | t405 = t151*t44 - | ^ + 1305 | t193 + 0.6e1_dp*t68*t69*t520*t71 + | ^ Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:77: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:51: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & - | ^~~~ + 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & + | ^~~~ note: 't151' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:654:35: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1285:33: - 654 | *t49*t245*t25 - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:52: + 1285 | t454 = 0.1e1_dp/t153/t65 + | ^ +Warning: 't153' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:57: - 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & - | ^~~~ -note: 't155' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:654:35: + 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & + | ^~~~ +note: 't153' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1331:24: - 654 | *t49*t245*t25 - | ^ -Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:86: + 1331 | t656 = t31*t154 + | ^ +Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:63: - 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & - | ^~~~ -note: 't156' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:561:28: + 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & + | ^~~~ +note: 't154' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1308:25: - 561 | t224 = t9*t16 - | ^ -Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:87: + 1308 | t543 = t212*t156 + | ^ +Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:69: - 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & - | ^~~ -note: 't16' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:642:31: + 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & + | ^~~~ +note: 't156' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: - 642 | t394 = t393*t160 - | ^ -Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:92: + 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) + | ^ +Warning: 't157' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:75: - 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & - | ^~~~ -note: 't160' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:783:70: + 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & + | ^~~~ +note: 't157' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1326:63: - 783 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735 - | ^ -Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:52: + 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158 + | ^ +Warning: 't158' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:81: - 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 - | ^~~~ -note: 't161' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:661:31: + 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & + | ^~~~ +note: 't158' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1294:49: - 661 | t445 = t164*t444 - | ^ -Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:59: + 1294 | t12*t61) + | ^ +Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:87: - 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & - | ^~~~ -note: 't164' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:708:26: + 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & + | ^~~~ +note: 't159' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1295:24: - 708 | t537 - | ^ + 1295 | t508 = t165*t13 + | ^ Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:17: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:10: - 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & - | ^~~~ + 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + | ^~~~ note: 't165' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:708:26: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: - 708 | t537 - | ^ + 1312 | (48._dp*t224*t181) + | ^ Warning: 't166' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:51: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:16: - 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & - | ^~~~ + 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + | ^~~~ note: 't166' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:708:26: - - 708 | t537 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:17: - - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & - | ^~~ -note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:708:26: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1294:49: - 708 | t537 - | ^ -Warning: 't170' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:22: + 1294 | t12*t61) + | ^ +Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:22: - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & + 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & | ^~~~ -note: 't170' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:708:26: +note: 't167' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1294:49: - 708 | t537 - | ^ -Warning: 't171' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:77: + 1294 | t12*t61) + | ^ +Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:28: - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & - | ^~~~ -note: 't171' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:783:70: + 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + | ^~~~ +note: 't168' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: - 783 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735 - | ^ -Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:38: + 1312 | (48._dp*t224*t181) + | ^ +Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:34: - 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & - | ^~~~ -note: 't172' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:668:30: + 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + | ^~~~ +note: 't169' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1294:49: - 668 | t470 = t176*t40 - | ^ -Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:31: + 1294 | t12*t61) + | ^ +Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:40: - 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & - | ^~~~ -note: 't176' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:764:31: + 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + | ^~~~ +note: 't173' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: - 764 | t708 = t707*t177 - | ^ -Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:86: + 1312 | (48._dp*t224*t181) + | ^ +Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:46: - 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & - | ^~~~ -note: 't177' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:754:31: + 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + | ^~~~ +note: 't175' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: - 754 | t658 = t657*t178 - | ^ -Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:38: + 1312 | (48._dp*t224*t181) + | ^ +Warning: 't181' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:57: - 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & - | ^~~~ -note: 't178' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36: + 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + | ^~~~ +note: 't181' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1403:32: - 2710 | t5011 + t5001 - | ^ -Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:17: + 1403 | *t114*t321*t909 + | ^ +Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:63: - 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & - | ^~~ -note: 't18' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:679:35: + 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + | ^~~~ +note: 't184' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1305:53: - 679 | *t61*t262*t25 - | ^ -Warning: 't182' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:78: + 1305 | t193 + 0.6e1_dp*t68*t69*t520*t71 + | ^ +Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:69: - 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & - | ^~~~ -note: 't182' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:679:35: + 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + | ^~~~ +note: 't185' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: - 679 | *t61*t262*t25 - | ^ -Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:38: + 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) + | ^ +Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:75: - 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & - | ^~~~ -note: 't183' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:774:30: + 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + | ^~~~ +note: 't186' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: - 774 | t732 = t60*t187 - | ^ -Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:59: + 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) + | ^ +Warning: 't188' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:81: - 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & - | ^~~~ -note: 't187' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:682:30: + 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + | ^~~~ +note: 't188' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1305:53: - 682 | t503 = t189*t67 - | ^ + 1305 | t193 + 0.6e1_dp*t68*t69*t520*t71 + | ^ Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:31: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:87: - 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & - | ^~~~ + 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + | ^~~~ note: 't189' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:646:30: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1384:25: - 646 | t401 = t19*t140 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:65: + 1384 | t874 = t342*t190 + | ^ +Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:10: - 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & - | ^~~ -note: 't19' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:700:63: + 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 + | ^~~~ +note: 't190' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1398:132: - 700 | *t192*t531 - 0.5555555558e-1_dp*t192*t534 - | ^ -Warning: 't192' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:31: + 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 + | ^ +Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:16: - 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 - | ^~~~ -note: 't192' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:691:36: + 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 + | ^~~~ +note: 't191' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: - 691 | t527 = t194*t187*t526 - | ^ + 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) + | ^ Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:52: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:28: - 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & - | ^~~~ + 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 + | ^~~~ note: 't194' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:578:30: - - 578 | t271 = t195*t17 - | ^ -Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:79: - - 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & - | ^~~~ -note: 't195' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:778:87: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: - 778 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 - | ^ -Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:17: + 1392 | *t902 - t113*t114*t906 + | ^ +Warning: 't197' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:34: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & - | ^~~~ -note: 't196' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:694:31: + 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 + | ^~~~ +note: 't197' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: - 694 | t534 = t199*t267 - | ^ + 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) + | ^ Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:45: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:40: - 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & - | ^~~~ + 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 + | ^~~~ note: 't199' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:672:30: - - 672 | t474 = t20*t140 - | ^ -Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:72: - - 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & - | ^~~ -note: 't20' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:778:87: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1307:72: - 778 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 - | ^ -Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:77: + 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146) + | ^ +Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:55: - 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & - | ^~~~ -note: 't200' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:667:30: + 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 + | ^~~~ +note: 't202' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1307:72: - 667 | t466 = t27*t203 - | ^ + 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146) + | ^ Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:73: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:61: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^~~~ + 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 + | ^~~~ note: 't203' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:638:30: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1404:30: - 638 | t384 = t45*t207 + 1404 | t1056 = 0.1e1_dp/t206 | ^ +Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:67: + + 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 + | ^~~~ +note: 't206' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1307:72: + + 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146) + | ^ Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:59: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:73: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^~~~ + 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 + | ^~~~ note: 't207' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:684:29: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1307:72: - 684 | t511 = t22*t70 - | ^ -Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:10: + 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146) + | ^ +Warning: 't208' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:24: - 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & - | ^~~ -note: 't22' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:717:66: + 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & + | ^~~~ +note: 't208' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1405:31: - 717 | t557 = 0.60e1_dp*t550*t551 + 0.60e1_dp*t24*t23*t132 - | ^ -Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:318:45: + 1405 | t1062 = t851*t852*t211 + | ^ +Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:35: - 318 | t2287, t2292, t2295, t2296, t2299, t23, t230, t2300, t2304, t2307, t2308, t2311, t2312, & - | ^~~ -note: 't23' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_tb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_tb.F input_cp2k_tb.F90 -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:750:49: + 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & + | ^~~~ +note: 't211' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1326:63: - 750 | *t615 - 0.20e1_dp*t102*t646 - | ^ -Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:77: + 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158 + | ^ +Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:41: - 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & - | ^~~ -note: 't24' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:708:26: + 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & + | ^~~~ +note: 't212' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: - 708 | t537 - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:78: + 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) + | ^ +Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:47: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^~~ -note: 't25' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2690:32: + 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & + | ^~~~ +note: 't213' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: - 2690 | t6267 = t26*t1447 - | ^ -Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:45: + 1312 | (48._dp*t224*t181) + | ^ +Warning: 't215' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:53: - 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 - | ^~~ -note: 't26' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:667:30: + 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & + | ^~~~ +note: 't215' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: - 667 | t466 = t27*t203 - | ^ -Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:83: + 1312 | (48._dp*t224*t181) + | ^ +Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:59: - 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & - | ^~~ -note: 't27' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:631:32: + 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & + | ^~~~ +note: 't216' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: - 631 | *t366*t372 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:70: + 1312 | (48._dp*t224*t181) + | ^ +Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:65: - 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & - | ^~~ -note: 't31' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:605:39: + 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & + | ^~~~ +note: 't219' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: - 605 | t326 = 0.1e1_dp/t103/t35 - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:17: + 1312 | (48._dp*t224*t181) + | ^ +Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:76: - 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & - | ^~~ -note: 't35' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:599:37: + 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & + | ^~~~ +note: 't220' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: - 599 | t313 = t311*t36*my_rho - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:92: + 1312 | (48._dp*t224*t181) + | ^ +Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:82: - 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & - | ^~~ -note: 't36' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:719:61: + 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & + | ^~~~ +note: 't224' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: - 719 | t561 = 0.40e1_dp*t24*t37 - 0.20e1_dp*t102*t558 - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:17: + 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 + | ^ +Warning: 't227' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:88: - 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & - | ^~~ -note: 't37' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:556:28: + 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & + | ^~~~ +note: 't227' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: - 556 | t217 = t4*t41 - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:64: + 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) + | ^ +Warning: 't228' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:94: - 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & - | ^~ -note: 't4' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:668:30: + 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & + | ^~~~ +note: 't228' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1326:63: - 668 | t470 = t176*t40 - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:68: + 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158 + | ^ +Warning: 't229' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:10: - 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & - | ^~~ -note: 't40' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:643:39: + 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + | ^~~~ +note: 't229' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1326:63: - 643 | t398 = 0.1e1_dp/t41/t176 - | ^ -Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:50: + 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158 + | ^ +Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:16: - 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & - | ^~~ -note: 't41' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:637:31: + 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + | ^~~~ +note: 't231' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: - 637 | t383 = t42*omega - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:95: + 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) + | ^ +Warning: 't232' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:22: - 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & - | ^~~ -note: 't42' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: + 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + | ^~~~ +note: 't232' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1423:88: - 714 | t46*t541))*sx - | ^ -Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:90: + 1423 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t235*t408 - t76*t1073*Clda)*sx0 + | ^ +Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:28: - 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & - | ^~~ -note: 't43' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: + 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + | ^~~~ +note: 't235' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: - 714 | t46*t541))*sx - | ^ -Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:82: + 1392 | *t902 - t113*t114*t906 + | ^ +Warning: 't238' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:34: - 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & - | ^~~ -note: 't46' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:644:30: + 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + | ^~~~ +note: 't238' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: - 644 | t399 = t47*t398 - | ^ -Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:342:37: + 1392 | *t902 - t113*t114*t906 + | ^ +Warning: 't240' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:45: - 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707 - | ^~~ -note: 't47' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:587:38: + 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + | ^~~~ +note: 't240' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: - 587 | t289 = my_rho*t48*omega + 1392 | *t902 - t113*t114*t906 | ^ -Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:346:17: +Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:51: - 346 | t4797, t48, t4800, t4801, t4804, t4808, t4812, t4817, t4820, t4829, t4830, t4833, t4834, & - | ^~~ -note: 't48' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:654:35: + 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + | ^~~~ +note: 't241' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: - 654 | *t49*t245*t25 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:348:72: + 1392 | *t902 - t113*t114*t906 + | ^ +Warning: 't244' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:57: - 348 | t4881, t4884, t4887, t4889, t489, t4893, t4895, t4897, t4898, t49, t4901, t4904, t4905, & - | ^~~ -note: 't49' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:570:30: + 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + | ^~~~ +note: 't244' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1357:94: - 570 | t245*t17 - | ^ -Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:57: + 1357 | *t114*t820*t640) - (t113*t114*t321*t681) + | ^ +Warning: 't247' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:63: - 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & - | ^~~ -note: 't50' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: + 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + | ^~~~ +note: 't247' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: - 714 | t46*t541))*sx - | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:364:24: + 1392 | *t902 - t113*t114*t906 + | ^ +Warning: 't248' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:69: - 364 | REAL(KIND=dp) :: t55, t550, t5503, t5507, t5509, t551, t5511, t5516, t5523, t5525, t5528, & - | ^~~ -note: 't55' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:674:30: + 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + | ^~~~ +note: 't248' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: - 674 | t479 = t56*t140 - | ^ -Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:367:31: + 1392 | *t902 - t113*t114*t906 + | ^ +Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:80: - 367 | t5593, t5595, t5597, t56, t5600, t5602, t5604, t5607, t561, t5610, t5611, t5613, t5619, & - | ^~~ -note: 't56' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:585:27: + 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + | ^~~~ +note: 't250' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: - 585 | *t278 - | ^ -Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:370:65: + 1392 | *t902 - t113*t114*t906 + | ^ +Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:86: - 370 | t5686, t5689, t569, t5692, t5695, t5696, t5698, t5699, t57, t5701, t5705 - | ^~~ -note: 't57' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:767:30: + 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + | ^~~~ +note: 't251' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 767 | t713 = t58*t649 - | ^ -Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:373:51: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't253' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:92: - 373 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & - | ^~~ -note: 't58' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:763:30: + 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + | ^~~~ +note: 't253' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1403:32: - 763 | t707 = t187*t59 - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:376:24: + 1403 | *t114*t321*t909 + | ^ +Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:10: - 376 | t5891, t5898, t59, t590, t5902, t5905, t5908, t5911, t5913, t5918, t5922, t5925, t5926, & - | ^~~ -note: 't59' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:622:33: + 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + | ^~~~ +note: 't254' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: - 622 | t365 = t6*my_ndrho - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:379:58: + 1380 | *t331*t333*t253) + | ^ +Warning: 't256' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:16: - 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & - | ^~ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:774:30: + 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + | ^~~~ +note: 't256' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 774 | t732 = t60*t187 - | ^ -Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:379:62: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't257' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:22: - 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & - | ^~~ -note: 't60' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:679:35: + 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + | ^~~~ +note: 't257' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 679 | *t61*t262*t25 - | ^ -Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:382:71: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't260' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:33: - 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & - | ^~~ -note: 't61' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:679:35: + 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + | ^~~~ +note: 't260' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 679 | *t61*t262*t25 - | ^ -Warning: 't62' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:385:59: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't263' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:39: - 385 | REAL(KIND=dp) :: t6186, t6189, t6192, t6194, t6198, t62, t6201, t6207, t6210, t6213, t6216, & - | ^~~ -note: 't62' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:778:87: + 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + | ^~~~ +note: 't263' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: - 778 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:91: + 1380 | *t331*t333*t253) + | ^ +Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:45: - 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & - | ^~~ -note: 't65' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:687:30: + 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + | ^~~~ +note: 't266' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 687 | t516 = t66*t515 - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:90: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't267' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:51: - 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & - | ^~~ -note: 't66' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:648:30: + 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + | ^~~~ +note: 't267' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 648 | t406 = t68*t140 - | ^ -Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:47: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't270' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:57: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^~~ -note: 't68' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1680:30: + 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + | ^~~~ +note: 't270' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: - 1680 | t3097 = t66*t69 - | ^ -Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:58: + 1380 | *t331*t333*t253) + | ^ +Warning: 't272' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:63: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^~~ -note: 't69' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: + 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + | ^~~~ +note: 't272' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:63: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't273' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:69: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^~ -note: 't7' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:684:29: + 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + | ^~~~ +note: 't273' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: - 684 | t511 = t22*t70 - | ^ -Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:67: + 1380 | *t331*t333*t253) + | ^ +Warning: 't276' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:75: - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^~~ -note: 't70' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:778:87: + 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + | ^~~~ +note: 't276' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 778 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 - | ^ -Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:10: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't277' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:81: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^~~ -note: 't71' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:663:30: + 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + | ^~~~ +note: 't277' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 663 | t450 = t114*t74 - | ^ -Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:81: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't280' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:92: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^~~ -note: 't74' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: + 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + | ^~~~ +note: 't280' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: - 714 | t46*t541))*sx - | ^ -Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:64: + 1380 | *t331*t333*t253) + | ^ +Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:10: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^~~ -note: 't78' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: + 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + | ^~~~ +note: 't283' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: - 714 | t46*t541))*sx - | ^ -Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:93: + 1380 | *t331*t333*t253) + | ^ +Warning: 't288' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:16: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^~~ -note: 't79' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:787:108: + 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + | ^~~~ +note: 't288' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: - 787 | *t83*t653 - 0.2222222224e0_dp*t144*t46*t739))*sx - | ^ -Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:40: + 1380 | *t331*t333*t253) + | ^ +Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:27: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^~ -note: 't8' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: + 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + | ^~~~ +note: 't293' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 714 | t46*t541))*sx - | ^ -Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:86: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:33: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^~~ -note: 't83' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: + 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + | ^~~~ +note: 't294' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 714 | t46*t541))*sx - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:10: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:39: - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^~~ -note: 't84' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1467:70: + 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + | ^~~~ +note: 't297' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1341:33: - 1467 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:15: + 1341 | t759 = 0.1e1_dp/t299/t83 + | ^ +Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:45: - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^~~ -note: 't85' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:593:28: + 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + | ^~~~ +note: 't299' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: - 593 | t302 = t7*t86 - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:50: + 1380 | *t331*t333*t253) + | ^ +Warning: 't300' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:55: - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^~~ -note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: + 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + | ^~~~ +note: 't300' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:91: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't301' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:61: - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^~~ -note: 't87' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:750:49: + 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + | ^~~~ +note: 't301' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: - 750 | *t615 - 0.20e1_dp*t102*t646 - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:28: + 1392 | *t902 - t113*t114*t906 + | ^ +Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:73: - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^~~ -note: 't88' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:561:28: + 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + | ^~~~ +note: 't305' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1398:132: - 561 | t224 = t9*t16 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:75: + 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 + | ^ +Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:79: - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^~ -note: 't9' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:597:30: + 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + | ^~~~ +note: 't307' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1398:132: - 597 | t309 = t308*t92 + 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 + | ^ +Warning: 't308' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:85: + + 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + | ^~~~ +note: 't308' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: + + 1392 | *t902 - t113*t114*t906 + | ^ +Warning: 't311' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:10: + + 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & + | ^~~~ +note: 't311' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1339:30: + + 1339 | t113*t114*t678 | ^ -Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:22: +Warning: 't314' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:16: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^~~ -note: 't92' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:635:71: + 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & + | ^~~~ +note: 't314' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1398:132: - 635 | *t322 + 0.40e1_dp*t102*t329 - 0.20e1_dp*t102*t376 - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:51: + 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 + | ^ +Warning: 't315' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:22: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^~~ -note: 't93' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1467:70: + 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & + | ^~~~ +note: 't315' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1357:94: - 1467 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:62: + 1357 | *t114*t820*t640) - (t113*t114*t321*t681) + | ^ +Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:28: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^~~ -note: 't94' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:612:38: + 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & + | ^~~~ +note: 't317' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1403:32: - 612 | t341 = 0.1e1_dp/t19/t95 - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:48: + 1403 | *t114*t321*t909 + | ^ +Warning: 't318' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:34: - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^~~ -note: 't95' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:739:30: + 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & + | ^~~~ +note: 't318' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1403:32: - 739 | t627 = t97*t132 - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:28: + 1403 | *t114*t321*t909 + | ^ +Warning: 't319' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:40: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^~~ -note: 't97' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2419:50: + 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & + | ^~~~ +note: 't319' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1357:94: - 2419 | t5564 = 0.1173333333e3_dp*t5060*t98 - | ^ -Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:69: + 1357 | *t114*t820*t640) - (t113*t114*t321*t681) + | ^ +Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:51: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^~~ -note: 't98' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:750:49: + 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & + | ^~~~ +note: 't321' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1403:32: - 750 | *t615 - 0.20e1_dp*t102*t646 - | ^ -Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:10: + 1403 | *t114*t321*t909 + | ^ +Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:57: - 401 | t99, t991, t995, t997, xx - | ^~~ -note: 't99' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85: + 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & + | ^~~~ +note: 't322' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1403:32: - 1745 | + t3288) - | ^ -Warning: 't214' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:45: + 1403 | *t114*t321*t909 + | ^ +Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:63: - 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 - | ^~~~ -note: 't214' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85: + 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & + | ^~~~ +note: 't323' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 1745 | + t3288) - | ^ -Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:31: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:69: - 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & - | ^~~~ -note: 't217' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: + 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & + | ^~~~ +note: 't325' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 1551 | *t2565*t796 - | ^ -Warning: 't218' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:37: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:75: - 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & - | ^~~~ -note: 't218' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1193:32: + 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & + | ^~~~ +note: 't326' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1359:25: - 1193 | t1645 = beta*t219 - | ^ -Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:64: + 1359 | t848 = t327*t847 + | ^ +Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:81: - 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & - | ^~~~ -note: 't219' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: + 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & + | ^~~~ +note: 't327' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: - 1551 | *t2565*t796 - | ^ -Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:15: + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:87: - 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & - | ^~~~ -note: 't220' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1088:28: + 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & + | ^~~~ +note: 't328' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 1088 | t1444 - | ^ -Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:49: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:93: - 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & - | ^~~~ -note: 't221' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:888:40: + 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & + | ^~~~ +note: 't329' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: - 888 | t995 = 0.1e1_dp/t787/t224 - | ^ -Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:83: + 1380 | *t331*t333*t253) + | ^ +Warning: 't330' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:15: - 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & - | ^~~~ -note: 't224' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1651:31: + 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & + | ^~~~ +note: 't330' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1406:35: - 1651 | t2998 = t27*t225 - | ^ -Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:89: + 1406 | t1066 = t331*t332*t227*t83 + | ^ +Warning: 't331' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:21: - 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & - | ^~~~ -note: 't225' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1084:53: + 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & + | ^~~~ +note: 't331' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1406:35: - 1084 | + 0.8000000000e1_dp*t366*t1440 - | ^ -Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:318:50: + 1406 | t1066 = t331*t332*t227*t83 + | ^ +Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:27: - 318 | t2287, t2292, t2295, t2296, t2299, t23, t230, t2300, t2304, t2307, t2308, t2311, t2312, & - | ^~~~ -note: 't230' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1559:85: + 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & + | ^~~~ +note: 't332' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1407:31: - 1559 | - 0.20e1_dp*t102*t105*t2569 - 0.6400000001e2_dp*t321*t953*t979 - | ^ -Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:24: + 1407 | t1069 = t331*t333*t352 + | ^ +Warning: 't333' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:33: - 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & - | ^~~~ -note: 't233' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1153:44: + 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & + | ^~~~ +note: 't333' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: - 1153 | t1584 = 0.320e2_dp*t1582*t234 - | ^ -Warning: 't234' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:30: + 1380 | *t331*t333*t253) + | ^ +Warning: 't334' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:39: - 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & - | ^~~~ -note: 't234' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85: + 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & + | ^~~~ +note: 't334' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: - 1745 | + t3288) - | ^ -Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:50: + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't335' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:45: - 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & - | ^~~~ -note: 't237' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1328:32: + 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & + | ^~~~ +note: 't335' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1382:54: - 1328 | t1912 = t399*t245 - | ^ -Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:31: + 1382 | - t76*t865*Clda)*sx0 + | ^ +Warning: 't340' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:56: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^~~~ -note: 't245' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1524:40: + 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & + | ^~~~ +note: 't340' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1398:132: - 1524 | *t1368*t166*t2160 - | ^ -Warning: 't249' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:65: + 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 + | ^ +Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:62: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^~~~ -note: 't249' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1128:56: + 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & + | ^~~~ +note: 't342' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: - 1128 | + 0.3333333334e0_dp*t55*t57*t1531 - | ^ -Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:83: + 1392 | *t902 - t113*t114*t906 + | ^ +Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:68: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^~~~ -note: 't250' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1287:32: + 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & + | ^~~~ +note: 't343' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1398:132: - 1287 | t1821 = t472*t262 - | ^ -Warning: 't262' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:63: + 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 + | ^ +Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:74: - 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 - | ^~~~ -note: 't262' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1679:69: + 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & + | ^~~~ +note: 't346' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1430:41: - 1679 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201 - | ^ -Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:65: + 1430 | *t1094 - t113*t114*t1098 + | ^ +Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:80: - 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & - | ^~~~ -note: 't266' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: + 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & + | ^~~~ +note: 't347' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: - 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 - | ^ -Warning: 't267' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:71: + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't349' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:86: - 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & - | ^~~~ -note: 't267' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: + 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & + | ^~~~ +note: 't349' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1430:41: - 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 - | ^ -Warning: 't268' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:77: + 1430 | *t1094 - t113*t114*t1098 + | ^ +Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:92: - 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & - | ^~~~ -note: 't268' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1505:51: + 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & + | ^~~~ +note: 't350' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: - 1505 | 0.1111111112e0_dp*t1129*t271 - | ^ -Warning: 't271' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:10: + 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 + | ^ +Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:10: - 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 | ^~~~ -note: 't271' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1809:33: +note: 't352' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: - 1809 | t3569 = t274*t1505 - | ^ -Warning: 't274' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:37: + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:16: - 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & - | ^~~~ -note: 't274' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34: + 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 + | ^~~~ +note: 't357' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 1692 | *t503*t2312 - | ^ -Warning: 't275' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:43: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't360' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:27: - 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & - | ^~~~ -note: 't275' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: + 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 + | ^~~~ +note: 't360' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: - 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 - | ^ -Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:70: + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't361' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:33: - 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & - | ^~~~ -note: 't278' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85: + 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 + | ^~~~ +note: 't361' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: - 1745 | + t3288) - | ^ -Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:10: + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't364' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:39: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & - | ^~~~ -note: 't282' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1067:96: + 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 + | ^~~~ +note: 't364' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: - 1067 | t804 - 0.4444444448e0_dp*t43*t894 + t8*t1401)*sx - | ^ -Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:30: + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't366' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:45: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & - | ^~~~ -note: 't283' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1580:69: + 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 + | ^~~~ +note: 't366' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 1580 | *t55*t1082 - 0.1000000001e1_dp*t165*t2631*t237 - | ^ -Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:85: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't371' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:56: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & - | ^~~~ -note: 't289' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1737:66: + 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 + | ^~~~ +note: 't371' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 - | ^ -Warning: 't290' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:91: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:62: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & - | ^~~~ -note: 't290' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1737:66: + 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 + | ^~~~ +note: 't372' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 - | ^ -Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:24: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:68: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 + | ^~~~ +note: 't375' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:24: + + 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & | ^~~~ -note: 't294' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29: +note: 't376' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: - 1063 | *t1397 - | ^ -Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:30: + 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + | ^ +Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:30: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & | ^~~~ -note: 't295' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1161:30: +note: 't379' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: - 1161 | t1597 = t7*t298 - | ^ -Warning: 't298' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:36: + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:36: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & | ^~~~ -note: 't298' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1150:49: +note: 't380' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: - 1150 | t1579 = 0.1173333333e3_dp*t24*t299 - | ^ -Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:42: + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:42: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & | ^~~~ -note: 't299' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: +note: 't383' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: - 1569 | 0.5866666667e2_dp*t962*t949*t375 - | ^ -Warning: 't302' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:69: + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't385' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:48: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^~~~ -note: 't302' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:863:31: + 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & + | ^~~~ +note: 't385' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1430:41: - 863 | t942 = t367*t306 - | ^ -Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:89: + 1430 | *t1094 - t113*t114*t1098 + | ^ +Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:60: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & + | ^~~~ +note: 't389' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1430:41: + + 1430 | *t1094 - t113*t114*t1098 + | ^ +Warning: 't392' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:71: + + 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & + | ^~~~ +note: 't392' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: + + 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 + | ^ +Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:77: + + 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & + | ^~~~ +note: 't393' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: + + 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 + | ^ +Warning: 't395' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:83: + + 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & + | ^~~~ +note: 't395' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: + + 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 + | ^ +Warning: 't396' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:89: + + 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & | ^~~~ -note: 't306' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: +note: 't396' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: - 1569 | 0.5866666667e2_dp*t962*t949*t375 - | ^ -Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:17: + 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 + | ^ +Warning: 't398' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:10: - 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & - | ^~~~ -note: 't307' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:901:31: + 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & + | ^~~~ +note: 't398' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: - 901 | t1033 = t308*t12 - | ^ -Warning: 't308' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:30: + 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 + | ^ +Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:16: - 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & - | ^~~~ -note: 't308' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:891:40: + 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & + | ^~~~ +note: 't399' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: - 891 | t1002 = 0.1e1_dp/t19/t309 - | ^ -Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:43: + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:31: - 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & + 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & + | ^~~~ +note: 't401' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:37: + + 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & + | ^~~~ +note: 't402' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + + 1445 | + t403*t1066 + t403*t1069) + | ^ +Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:43: + + 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & | ^~~~ -note: 't309' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: +note: 't403' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1423:88: - 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 - | ^ -Warning: 't311' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:75: + 1423 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t235*t408 - t76*t1073*Clda)*sx0 + | ^ +Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:49: - 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & - | ^~~~ -note: 't311' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1157:51: + 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & + | ^~~~ +note: 't408' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5671:94: - 1157 | t1591 = 0.1173333333e3_dp*t1589*t313 - | ^ -Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:88: + 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) + | ^ +Warning: 'dqndrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:63: - 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & - | ^~~~ -note: 't313' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: + 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^~~~~~~ +note: 'dqndrho' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5635:90: - 1569 | 0.5866666667e2_dp*t962*t949*t375 - | ^ -Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:17: + 5635 | 1.0_dp/Q*(dQrho*dQndrho + d2Qrhondrho) + 1.0_dp/(Q*Q)*dQrho*dQndrho + | ^ +Warning: 'dqrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:72: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^~~~ -note: 't316' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: + 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^~~~~ +note: 'dqrho' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_pade.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1669:86: - 1569 | 0.5866666667e2_dp*t962*t949*t375 - | ^ -Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:23: + 1669 | t256)*t95*t237 - t94*t97/t29 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:28: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^~~~ -note: 't317' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1160:43: + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^~~ +note: 't10' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1657:33: - 1160 | t1596 = 0.320e2_dp*t605*t318 - | ^ -Warning: 't318' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:29: + 1657 | t232 = 0.1e1_dp/t100/t99 + | ^ +Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:33: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^~~~ -note: 't318' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^~~~ +note: 't100' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1762:25: - 1569 | 0.5866666667e2_dp*t962*t949*t375 - | ^ -Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:42: + 1762 | t525 = t143*t101 + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:39: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^~~~ -note: 't321' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1168:50: + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^~~~ +note: 't101' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: - 1168 | t1607 = 0.1066666667e2_dp*t339*t322 - | ^ -Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:48: + 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:45: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^~~~ -note: 't322' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:868:30: + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^~~~ +note: 't102' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1781:25: - 868 | t953 = t97*t326 - | ^ -Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:75: + 1781 | t581 = t580*t103 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:51: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^~~~ -note: 't326' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1559:85: + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^~~~ +note: 't103' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1796:37: - 1559 | - 0.20e1_dp*t102*t105*t2569 - 0.6400000001e2_dp*t321*t953*t979 - | ^ -Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:17: + 1796 | /0.3e1_dp*t626)*t106 + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:63: - 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 - | ^~~~ -note: 't327' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^~~~ +note: 't106' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: - 1569 | 0.5866666667e2_dp*t962*t949*t375 - | ^ -Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:30: + 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:69: - 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 - | ^~~~ -note: 't328' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1173:42: + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^~~~ +note: 't108' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: - 1173 | t1615 = 0.80e1_dp*t112*t329 - | ^ -Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:43: + 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:75: - 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 - | ^~~~ -note: 't329' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1203:79: + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^~~~ +note: 't109' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1788:25: - 1203 | t1667 = 0.28e2_dp/0.3e1_dp*t332 - 0.28e2_dp/0.3e1_dp*t987*my_rho - | ^ -Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:77: + 1788 | t614 = t613*t110 + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:81: - 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 - | ^~~~ -note: 't332' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1189:49: + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^~~~ +note: 't110' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: - 1189 | t1638 = 0.1200000000e3_dp*t24*t336 - | ^ -Warning: 't336' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_se.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_se.F input_cp2k_se.F90 -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:329:73: + 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:87: - 329 | REAL(KIND=dp) :: t3339, t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, & - | ^~~~ -note: 't336' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1168:50: + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^~~~ +note: 't111' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: - 1168 | t1607 = 0.1066666667e2_dp*t339*t322 - | ^ -Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:31: + 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:93: - 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & - | ^~~~ -note: 't339' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: + 1503 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t111, t113, & + | ^~~~ +note: 't113' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: - 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 - | ^ -Warning: 't341' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:37: + 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:16: - 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & - | ^~~~ -note: 't341' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^~~~ +note: 't116' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1688:76: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:43: + 1688 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:22: - 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & - | ^~~~ -note: 't342' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1194:51: + 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^~~~ +note: 't118' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1807:66: - 1194 | t1647 = 0.5600000000e2_dp*t1645*t343 - | ^ -Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:49: + 1807 | *t233*t623/0.24e2_dp)*sx + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:28: - 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & - | ^~~~ -note: 't343' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1195:51: + 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^~~~ +note: 't119' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1688:76: - 1195 | t1649 = 0.1200000000e3_dp*t1589*t347 - | ^ -Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:69: + 1688 | *t299*t123/0.8e1_dp - t310*t233*t264/0.24e2_dp)*sx + | ^ +Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:34: - 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & - | ^~~~ -note: 't347' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: + 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^~~~ +note: 't121' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1807:66: - 1551 | *t2565*t796 - | ^ -Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:22: + 1807 | *t233*t623/0.24e2_dp)*sx + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1504:40: - 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & - | ^~~~ -note: 't350' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1198:51: + 1504 | t115, t116, t118, t119, t121, t123, t128, t131, t133, t134, t137, t138, t140, t141, t143, & + | ^~~~ +note: 't123' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1611:22: - 1198 | t1656 = 0.8000000000e1_dp*t1429*t352 - | ^ -Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:70: + 1611 | t128 = t5*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1505:69: - 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & - | ^~~~ -note: 't352' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:906:35: + 1505 | t146, t153, t154, t157, t159, t16, t160, t163, t167, t168, t17, t171, t172, t175, t177, & + | ^~~ +note: 't17' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1616:22: - 906 | t1002*my_rho - | ^ -Warning: 't356' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:38: + 1616 | t138 = t21**2 + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1506:91: - 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & - | ^~~~ -note: 't356' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: + 1506 | t178, t18, t182, t183, t186, t189, t190, t191, t194, t196, t197, t199, t2, t200, t21, & + | ^~~ +note: 't21' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1673:21: - 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 - | ^ -Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:58: + 1673 | t272 = R*t23 + | ^ +Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1507:27: - 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & - | ^~~~ -note: 't357' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: + 1507 | t22, t226, t229, t23, t232, t233, t234, t235, t237, t24, t242, t247, t249, t254, t256, & + | ^~~ +note: 't23' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1669:86: - 1551 | *t2565*t796 - | ^ -Warning: 't360' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:10: + 1669 | t256)*t95*t237 - t94*t97/t29 + | ^ +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1508:62: - 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & - | ^~~~ -note: 't360' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1202:42: + 1508 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & + | ^~~ +note: 't29' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1655:25: - 1202 | t1664 = 0.60e1_dp*t550*t362 - | ^ -Warning: 't362' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:30: + 1655 | t186*t191 + | ^ +Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1508:95: - 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & - | ^~~~ -note: 't362' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: + 1508 | t264, t267, t27, t270, t272, t277, t28, t280, t281, t29, t292, t295, t298, t299, t3, t30, & + | ^~~ +note: 't30' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1734:23: - 1551 | *t2565*t796 - | ^ -Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:36: + 1734 | t450 = t31*t42 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:16: - 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & - | ^~~~ -note: 't365' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: + 1509 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 + | ^~~ +note: 't31' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1637:32: - 1551 | *t2565*t796 - | ^ -Warning: 't366' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:42: + 1637 | t189 = 0.1e1_dp/t50/t32 + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:51: - 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & - | ^~~~ -note: 't366' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:863:31: + 1509 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 + | ^~~ +note: 't32' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1613:25: - 863 | t942 = t367*t306 - | ^ -Warning: 't367' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:55: + 1613 | t133 = t33*gamma + | ^ +Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:68: - 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & - | ^~~~ -note: 't367' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: + 1509 | t302, t31, t310, t314, t315, t317, t318, t32, t324, t328, t33 + | ^~~ +note: 't33' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1704:58: - 1551 | *t2565*t796 - | ^ -Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:89: + 1704 | *t332 - 0.80e2_dp/0.729e3_dp*t79*t182*t336 + | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:22: - 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & - | ^~~~ -note: 't368' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: + 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^~~ +note: 't39' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1623:22: - 1551 | *t2565*t796 - | ^ -Warning: 't371' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:22: + 1623 | t157 = t4*rho + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:45: - 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & - | ^~~~ -note: 't371' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1201:48: + 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^~ +note: 't4' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1736:23: - 1201 | t1662 = 0.3200000000e2_dp*t7*t372 - | ^ -Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:35: + 1736 | t454 = t40*t51 + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:49: - 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & - | ^~~~ -note: 't372' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: + 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^~~ +note: 't40' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1624:25: - 1569 | 0.5866666667e2_dp*t962*t949*t375 - | ^ -Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:48: + 1624 | t159 = t42*gamma + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:72: - 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & - | ^~~~ -note: 't375' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1184:42: + 1511 | t385, t387, t39, t392, t395, t398, t4, t40, t402, t404, t409, t42, t420, t427, t428, & + | ^~~ +note: 't42' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1636:22: - 1184 | t1630 = 0.40e1_dp*t112*t376 - | ^ -Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:61: + 1636 | t186 = t4*t48 + | ^ +Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:33: - 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & - | ^~~~ -note: 't376' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: + 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^~~ +note: 't48' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1738:23: - 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 - | ^ -Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:74: + 1738 | t458 = t49*t61 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:56: - 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & - | ^~~~ -note: 't379' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29: + 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^~~ +note: 't49' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1793:88: - 1063 | *t1397 - | ^ -Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:94: + 1793 | - t580 + t618)*t95*t237 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:61: - 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & - | ^~~~ -note: 't380' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1580:69: + 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^~ +note: 't5' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1637:32: - 1580 | *t55*t1082 - 0.1000000001e1_dp*t165*t2631*t237 - | ^ -Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:335:24: + 1637 | t189 = 0.1e1_dp/t50/t32 + | ^ +Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:65: - 335 | t3826, t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869 - | ^~~~ -note: 't383' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1737:66: + 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^~~ +note: 't50' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1627:25: - 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 - | ^ -Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:335:30: + 1627 | t167 = t51*gamma + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:88: - 335 | t3826, t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869 - | ^~~~ -note: 't384' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29: + 1513 | t466, t468, t469, t47, t48, t481, t484, t487, t49, t5, t50, t501, t504, t506, t51, t511, & + | ^~~ +note: 't51' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1740:24: - 1063 | *t1397 - | ^ -Warning: 't387' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:24: + 1740 | t462 = t59*t189 + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:27: - 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & - | ^~~~ -note: 't387' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1647:57: + 1515 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & + | ^~~ +note: 't59' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1786:21: - 1647 | - 0.5000000001e0_dp*t429*t437*t914 + 1786 | t612 = t3*t6 + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:44: + + 1515 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & + | ^~ +note: 't6' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1632:25: + + 1632 | t177 = t61*gamma + | ^ +Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:48: + + 1515 | t58, t580, t581, t59, t593, t596, t6, t61, t612, t613, t614, t616, t618, t62, t623, t626, & + | ^~~ +note: 't61' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: + + 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 | ^ -Warning: 't392' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:58: +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1516:22: - 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & - | ^~~~ -note: 't392' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1610:40: + 1516 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 + | ^~~ +note: 't65' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1675:24: - 1610 | *t2763*t446*t2779 - | ^ -Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:71: + 1675 | t280 = t108*t66 + | ^ +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1516:51: - 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & - | ^~~~ -note: 't393' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1595:104: + 1516 | t629, t638, t65, t654, t655, t656, t659, t66, t67, t70, t73, t76 + | ^~~ +note: 't66' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1797:24: - 1595 | *t394) + 0.5000000001e0_dp*t165*t2720*t237 - | ^ -Warning: 't394' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:91: + 1797 | t638 = t578*t83 + | ^ +Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:34: - 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & - | ^~~~ -note: 't394' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1036:33: + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^~~ +note: 't83' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1805:57: - 1036 | t1367 = omega*t398 - | ^ -Warning: 't398' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:45: + 1805 | + t581 - t596 - t655 - 0.4e1_dp*t656*t116 + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:39: - 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & - | ^~~~ -note: 't398' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1328:32: + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^~~ +note: 't84' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1659:23: - 1328 | t1912 = t399*t245 - | ^ -Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:58: + 1659 | t234 = t86*t89 + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:49: - 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & - | ^~~~ -note: 't399' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1524:40: + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^~~ +note: 't86' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1662:27: - 1524 | *t1368*t166*t2160 - | ^ -Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:73: + 1662 | t242 = t87*t88*t93 + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:54: - 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & - | ^~~~ -note: 't400' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1622:39: + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^~~ +note: 't87' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1662:27: - 1622 | *t400*t401*t2230 - | ^ -Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:79: + 1662 | t242 = t87*t88*t93 + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:59: - 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & - | ^~~~ -note: 't401' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1524:40: + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^~~ +note: 't88' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1659:23: - 1524 | *t1368*t166*t2160 - | ^ -Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:24: + 1659 | t234 = t86*t89 + | ^ +Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:64: - 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & - | ^~~~ -note: 't405' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1634:65: + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^~~ +note: 't89' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1639:23: - 1634 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237 - | ^ -Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:30: + 1639 | t191 = t190*t9 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:69: - 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & - | ^~~~ -note: 't406' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^~ +note: 't9' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1664:24: - 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 - | ^ -Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:69: + 1664 | t249 = t90/t247 + | ^ +Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:73: - 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & - | ^~~~ -note: 't413' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1634:65: + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^~~ +note: 't90' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1663:22: - 1634 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237 - | ^ -Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:89: + 1663 | t247 = t91**2 + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:78: - 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & - | ^~~~ -note: 't417' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1647:57: + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^~~ +note: 't91' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1713:46: - 1647 | - 0.5000000001e0_dp*t429*t437*t914 - | ^ -Warning: 't424' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:31: + 1713 | (-t385 - t341 + t387)*t95*t237 + | ^ +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:83: - 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & - | ^~~~ -note: 't424' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1308:55: + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^~~ +note: 't93' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1793:88: - 1308 | t1861 = 0.1800000000e2_dp*t658*t575*t425 - | ^ -Warning: 't425' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:37: + 1793 | - t580 + t618)*t95*t237 + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:88: - 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & - | ^~~~ -note: 't425' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1635:33: + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^~~ +note: 't94' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1793:88: - 1635 | t2885 = t428*t1372 + 1793 | - t580 + t618)*t95*t237 + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:93: + + 1517 | REAL(KIND=dp) :: t79, t82, t83, t84, t85, t86, t87, t88, t89, t9, t90, t91, t93, t94, t95, & + | ^~~ +note: 't95' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1713:46: + + 1713 | (-t385 - t341 + t387)*t95*t237 + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1518:15: + + 1518 | t96, t97, t99 + | ^~~ +note: 't97' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1657:33: + + 1657 | t232 = 0.1e1_dp/t100/t99 | ^ -Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:71: +Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1518:20: - 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & - | ^~~~ -note: 't428' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1737:66: + 1518 | t96, t97, t99 + | ^~~ +note: 't99' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1328:86: - 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 - | ^ -Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:77: + 1328 | t221)*t95*t235 - t94*t97/t29 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:28: - 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & - | ^~~~ -note: 't429' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1647:57: + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^~~ +note: 't10' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1319:43: - 1647 | - 0.5000000001e0_dp*t429*t437*t914 - | ^ -Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:17: + 1319 | t231 = REAL(t85, KIND=dp)/t100/t99 + | ^ +Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:33: - 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & - | ^~~~ -note: 't433' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^~~~ +note: 't100' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1349:56: - 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 - | ^ -Warning: 't437' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:37: + 1349 | - t124*t231*t259/0.24e2_dp)*sx + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:39: - 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & - | ^~~~ -note: 't437' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1598:33: + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^~~~ +note: 't101' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1317:27: - 1598 | t2763 = t1367*t444 - | ^ -Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:69: + 1317 | t227 = t102*R*t219 + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:45: - 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^~~~ +note: 't102' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1452:25: + + 1452 | t606 = t587*t103 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:51: + + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^~~~ +note: 't103' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1460:69: + + 1460 | t634 = (t574 + t587 - t600 - t605 - t606 + t609 + t632)*t106 + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:63: + + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^~~~ +note: 't106' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: + + 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:69: + + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & | ^~~~ -note: 't444' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1647:57: +note: 't108' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1451:47: - 1647 | - 0.5000000001e0_dp*t429*t437*t914 - | ^ -Warning: 't445' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:75: + 1451 | t605 = t3*t450*t141*t109*t103/0.9e1_dp + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:75: - 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & | ^~~~ -note: 't445' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1610:40: +note: 't109' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - 1610 | *t2763*t446*t2779 - | ^ -Warning: 't446' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:81: + 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:81: - 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & | ^~~~ -note: 't446' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1053:28: +note: 't110' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - 1053 | *t237 - | ^ -Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:22: + 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:87: - 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & - | ^~~~ -note: 't450' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^~~~ +note: 't114' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1464:70: - 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 - | ^ -Warning: 't451' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:35: + 1464 | t655 = (-t574 - t587 + t600 - t605 - t606 + t609 + t632)*t117 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:93: - 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & - | ^~~~ -note: 't451' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1053:28: + 1165 | REAL(KIND=dp) :: t1, t10, t100, t101, t102, t103, t104, t106, t108, t109, t110, t114, t117, & + | ^~~~ +note: 't117' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - 1053 | *t237 - | ^ -Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:55: + 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:10: - 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & - | ^~~~ -note: 't455' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1610:40: + 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^~~~ +note: 't119' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - 1610 | *t2763*t446*t2779 - | ^ -Warning: 't462' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:94: + 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't120' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:16: - 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & - | ^~~~ -note: 't462' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1595:104: + 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^~~~ +note: 't120' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1349:56: - 1595 | *t394) + 0.5000000001e0_dp*t165*t2720*t237 - | ^ -Warning: 't466' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:342:24: + 1349 | - t124*t231*t259/0.24e2_dp)*sx + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:22: - 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707 - | ^~~~ -note: 't466' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1018:40: + 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^~~~ +note: 't123' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1349:56: - 1018 | t1300 = 0.1e1_dp/t41/t470 - | ^ -Warning: 't470' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:342:42: + 1349 | - t124*t231*t259/0.24e2_dp)*sx + | ^ +Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1166:28: - 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707 - | ^~~~ -note: 't470' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1427:30: + 1166 | t119, t120, t123, t124, t129, t132, t134, t135, t138, t139, t141, t142, t143, t149, t150, & + | ^~~~ +note: 't124' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1271:22: - 1427 | t2117 = t471*pi - | ^ -Warning: 't471' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:343:31: + 1271 | t129 = t5*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1167:63: - 343 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, & - | ^~~~ -note: 't471' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1287:32: + 1167 | t153, t155, t156, t159, t16, t163, t164, t167, t168, t17, t171, t173, t174, t178, t179, & + | ^~~ +note: 't17' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1276:22: - 1287 | t1821 = t472*t262 - | ^ -Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:343:58: + 1276 | t139 = t21**2 + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1168:61: - 343 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, & - | ^~~~ -note: 't472' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: + 1168 | t18, t182, t185, t186, t187, t190, t192, t193, t2, t21, t219, t22, t221, t223, t224, & + | ^~~ +note: 't21' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1446:28: - 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 - | ^ -Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:343:92: + 1446 | t587 = t23*t585*t83 + | ^ +Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1169:28: - 343 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, & - | ^~~~ -note: 't473' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1659:33: + 1169 | t225, t227, t228, t23, t231, t232, t233, t235, t24, t240, t245, t247, t259, t261, t263, & + | ^~~ +note: 't23' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1328:86: - 1659 | t1176*t804 - | ^ -Warning: 't474' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:344:52: + 1328 | t221)*t95*t235 - t94*t97/t29 + | ^ +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1170:74: - 344 | t4732, t4733, t4734, t4736, t4738, t4739, t474, t4743, t4744, t4748, t4760, t4764, t4768, & - | ^~~~ -note: 't474' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: + 1170 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & + | ^~~ +note: 't29' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1312:25: - 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 - | ^ -Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:345:45: + 1312 | t182*t187 + | ^ +Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1170:89: - 345 | t4769, t4770, t4771, t4772, t4776, t478, t4782, t4786, t4789, t479, t4790, t4793, t4796, & - | ^~~~ -note: 't478' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1659:33: + 1170 | t265, t268, t269, t27, t270, t272, t274, t275, t28, t283, t288, t29, t291, t3, t30, t301, & + | ^~~ +note: 't30' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1399:23: - 1659 | t1176*t804 - | ^ -Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:345:72: + 1399 | t459 = t31*t42 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1171:16: - 345 | t4769, t4770, t4771, t4772, t4776, t478, t4782, t4786, t4789, t479, t4790, t4793, t4796, & - | ^~~~ -note: 't479' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: + 1171 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 + | ^~~ +note: 't31' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1296:32: - 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 - | ^ -Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:348:38: + 1296 | t185 = 0.1e1_dp/t50/t32 + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1171:51: - 348 | t4881, t4884, t4887, t4889, t489, t4893, t4895, t4897, t4898, t49, t4901, t4904, t4905, & - | ^~~~ -note: 't489' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: + 1171 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 + | ^~~ +note: 't32' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1273:25: - 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 - | ^ -Warning: 't496' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:31: + 1273 | t134 = t33*gamma + | ^ +Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1171:68: - 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & - | ^~~~ -note: 't496' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1679:69: + 1171 | t305, t31, t312, t314, t315, t317, t319, t32, t323, t327, t33 + | ^~~ +note: 't33' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1365:58: - 1679 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201 - | ^ -Warning: 't498' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:37: + 1365 | *t331 - 0.80e2_dp/0.729e3_dp*t79*t178*t335 + | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1173:32: - 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & - | ^~~~ -note: 't498' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:941:31: + 1173 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & + | ^~~ +note: 't39' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1282:22: - 941 | t1106 = t500*t67 - | ^ -Warning: 't500' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:62: + 1282 | t153 = t4*rho + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1173:67: - 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & - | ^~~~ -note: 't500' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1701:64: + 1173 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & + | ^~ +note: 't4' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1401:23: - 1701 | *t2622*t71 - 0.1666666668e0_dp*t1106*t886 - | ^ -Warning: 't503' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:352:73: + 1401 | t463 = t40*t51 + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1173:71: - 352 | t5009, t5011, t5013, t5016, t5019, t5022, t5025, t5028, t5029, t503, t5032, t5035, t5036, & - | ^~~~ -note: 't503' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: + 1173 | t367, t37, t38, t388, t39, t390, t392, t394, t397, t399, t4, t40, t403, t405, t409, t410, & + | ^~~ +note: 't40' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1283:25: - 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 - | ^ -Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:353:80: + 1283 | t155 = t42*gamma + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1174:16: - 353 | t5040, t5043, t5044, t5047, t5050, t5051, t5060, t5065, t5069, t5079, t508, t5083, t5087, & - | ^~~~ -note: 't508' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:985:32: + 1174 | t414, t42, t423, t426, t43, t434, t443, t450, t455, t456, t459, t46, t460, t463, t464, & + | ^~~ +note: 't42' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1295:22: - 985 | t1213 = t511*t225 - | ^ -Warning: 't511' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:24: + 1295 | t182 = t4*t48 + | ^ +Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1175:51: - 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, & - | ^~~~ -note: 't511' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34: + 1175 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & + | ^~~ +note: 't48' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1403:23: - 1692 | *t503*t2312 - | ^ -Warning: 't512' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:44: + 1403 | t467 = t49*t61 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1175:62: - 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, & - | ^~~~ -note: 't512' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: + 1175 | t467, t468, t47, t471, t472, t475, t477, t48, t488, t49, t490, t493, t494, t496, t497, & + | ^~~ +note: 't49' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1457:88: - 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 - | ^ -Warning: 't515' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:92: + 1457 | - t587 + t600)*t95*t235 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1176:16: - 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, & - | ^~~~ -note: 't515' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: + 1176 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & + | ^~ +note: 't5' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1296:32: - 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 - | ^ -Warning: 't516' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:355:10: + 1296 | t185 = 0.1e1_dp/t50/t32 + | ^ +Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1176:20: - 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, & - | ^~~~ -note: 't516' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: + 1176 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & + | ^~~ +note: 't50' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1286:25: - 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 - | ^ -Warning: 't517' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:355:23: + 1286 | t163 = t51*gamma + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1176:25: - 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, & - | ^~~~ -note: 't517' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: + 1176 | t499, t5, t50, t51, t516, t518, t52, t520, t522, t525, t526, t527, t530, t532, t545, & + | ^~~ +note: 't51' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1405:24: - 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 - | ^ -Warning: 't520' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:355:43: + 1405 | t471 = t59*t185 + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1177:61: - 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, & - | ^~~~ -note: 't520' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1701:64: + 1177 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & + | ^~~ +note: 't59' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1442:35: - 1701 | *t2622*t71 - 0.1666666668e0_dp*t1106*t886 - | ^ -Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:356:17: + 1442 | t574 = t3*t6*t572/0.9e1_dp + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1177:72: - 356 | t5256, t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284 - | ^~~~ -note: 't526' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34: + 1177 | t548, t56, t563, t57, t572, t574, t58, t585, t587, t59, t598, t6, t600, t605, t606, t608, & + | ^~ +note: 't6' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1291:25: - 1692 | *t503*t2312 - | ^ -Warning: 't527' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:356:30: + 1291 | t173 = t61*gamma + | ^ +Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1178:16: - 356 | t5256, t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284 - | ^~~~ -note: 't527' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34: + 1178 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 + | ^~~ +note: 't61' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1385:35: - 1692 | *t503*t2312 - | ^ -Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:357:57: + 1385 | t414 = ndrho*t141*t65*t114 + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1178:68: - 357 | REAL(KIND=dp) :: t5291, t5294, t5295, t5298, t53, t530, t5301, t5303, t5305, t5308, t531, & - | ^~~~ -note: 't530' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34: + 1178 | t609, t61, t62, t628, t630, t632, t634, t639, t641, t645, t65, t655 + | ^~~ +note: 't65' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - 1692 | *t503*t2312 - | ^ -Warning: 't531' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:357:91: + 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:24: - 357 | REAL(KIND=dp) :: t5291, t5294, t5295, t5298, t53, t530, t5301, t5303, t5305, t5308, t531, & - | ^~~~ -note: 't531' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1679:69: + 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^~~ +note: 't66' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1461:24: - 1679 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201 - | ^ -Warning: 't534' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:358:94: + 1461 | t639 = t585*t83 + | ^ +Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:65: - 358 | t5311, t5314, t5317, t5320, t5323, t5326, t5329, t5330, t5333, t5335, t5338, t5339, t534, & - | ^~~~ -note: 't534' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: + 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^~~ +note: 't83' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1470:54: - 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 - | ^ -Warning: 't537' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:359:80: + 1470 | *t114 - t301*t608 - t120*t630/0.3e1_dp + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:70: - 359 | t5342, t5343, t5345, t5347, t5351, t5354, t5357, t5360, t5363, t5367, t537, t5370, t5371, & - | ^~~~ -note: 't537' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:930:31: + 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^~~ +note: 't84' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1320:23: - 930 | t1071 = t45*t541 - | ^ -Warning: 't541' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:360:87: + 1320 | t232 = t86*t89 + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:80: - 360 | t5373, t5376, t5379, t5383, t5386, t5389, t5397, t5400, t5402, t5406, t5409, t541, t5412, & - | ^~~~ -note: 't541' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1202:42: + 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^~~ +note: 't86' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1323:27: - 1202 | t1664 = 0.60e1_dp*t550*t362 - | ^ -Warning: 't550' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:364:29: + 1323 | t240 = t87*t88*t93 + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:85: - 364 | REAL(KIND=dp) :: t55, t550, t5503, t5507, t5509, t551, t5511, t5516, t5523, t5525, t5528, & - | ^~~~ -note: 't550' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1185:32: + 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^~~ +note: 't87' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1323:27: - 1185 | t1631 = t375*t557 - | ^ -Warning: 't557' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:366:38: + 1323 | t240 = t87*t88*t93 + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:90: - 366 | t5562, t5564, t5565, t5568, t557, t5572, t5574, t5575, t5579, t558, t5581, t5585, t5590, & - | ^~~~ -note: 't557' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: + 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^~~ +note: 't88' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1320:23: - 2260 | *t105*t5118 - | ^ -Warning: 't558' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:366:72: + 1320 | t232 = t86*t89 + | ^ +Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1179:95: - 366 | t5562, t5564, t5565, t5568, t557, t5572, t5574, t5575, t5579, t558, t5581, t5585, t5590, & - | ^~~~ -note: 't558' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1357:32: + 1179 | REAL(KIND=dp) :: t66, t67, t672, t70, t73, t76, t79, t82, t83, t84, t85, t86, t87, t88, t89, & + | ^~~ +note: 't89' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1298:23: - 1357 | t1973 = t561*t149 - | ^ -Warning: 't561' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:367:64: + 1298 | t187 = t186*t9 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:10: - 367 | t5593, t5595, t5597, t56, t5600, t5602, t5604, t5607, t561, t5610, t5611, t5613, t5619, & - | ^~~~ -note: 't561' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1396:80: + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^~ +note: 't9' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1325:24: - 1396 | + t1482 + t1479 - t1489 + 0.3333333334e0_dp*t55*t57*t2042 - | ^ -Warning: 't567' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:369:51: + 1325 | t247 = t90/t245 + | ^ +Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:14: - 369 | t5657, t566, t5660, t5663, t5666, t5667, t567, t5670, t5671, t5673, t5676, t5679, t5682, & - | ^~~~ -note: 't567' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1396:80: + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^~~ +note: 't90' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1324:22: - 1396 | + t1482 + t1479 - t1489 + 0.3333333334e0_dp*t55*t57*t2042 - | ^ -Warning: 't569' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:370:24: + 1324 | t245 = t91**2 + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:19: - 370 | t5686, t5689, t569, t5692, t5695, t5696, t5698, t5699, t57, t5701, t5705 - | ^~~~ -note: 't569' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1415:39: + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^~~ +note: 't91' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1375:50: - 1415 | t2081*t575*t2082 - | ^ -Warning: 't575' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:372:31: + 1375 | t94*(-t317 - t340 + t358)*t95*t235 + | ^ +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:24: - 372 | t5742, t5745, t5749, t575, t5752, t5756, t5760, t5767, t5770, t5773, t5776, t5780, t5783, & - | ^~~~ -note: 't575' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1272:32: + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^~~ +note: 't93' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1457:88: - 1272 | t1785 = t579*t515 - | ^ -Warning: 't579' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:373:24: + 1457 | - t587 + t600)*t95*t235 + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:29: - 373 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & - | ^~~~ -note: 't579' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1351:34: + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^~~ +note: 't94' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1457:88: - 1351 | t1962 = t585*my_rho - | ^ -Warning: 't585' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:374:94: + 1457 | - t587 + t600)*t95*t235 + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:34: - 374 | t5819, t5822, t5825, t5828, t5830, t5831, t5833, t5835, t5838, t5841, t5845, t5848, t585, & - | ^~~~ -note: 't585' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1074:59: + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^~~ +note: 't95' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1375:50: - 1074 | t1417 = 0.6666666672e0_dp*t217*t46*t589*t237 - | ^ -Warning: 't589' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:375:94: + 1375 | t94*(-t317 - t340 + t358)*t95*t235 + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:44: - 375 | t5850, t5854, t5857, t5861, t5864, t5868, t5869, t5875, t5880, t5881, t5885, t5888, t589, & - | ^~~~ -note: 't589' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1069:50: + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^~~ +note: 't97' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1319:43: - 1069 | t1408 = 0.4444444448e0_dp*t214*t590 - | ^ -Warning: 't590' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1155:24: + 1319 | t231 = REAL(t85, KIND=dp)/t100/t99 + | ^ +Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1180:49: - 1155 | t206 = t1*ndrho - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:82: + 1180 | t9, t90, t91, t93, t94, t95, t96, t97, t99 + | ^~~ +note: 't99' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:499:93: - 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^~ -note: 't1' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1224:22: + 499 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qeff_a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:63: - 1224 | t328 = t3*t10 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:86: + 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^~~~~~ +note: 'qeff_a' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:499:93: - 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^~~ -note: 't10' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1198:25: + 499 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qeff_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:71: - 1198 | t288 = t100*t139 - | ^ -Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:91: + 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^~~~~~ +note: 'qeff_b' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:477:96: - 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^~~~ -note: 't100' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:376:29: + 477 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qshell_a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:79: - 376 | t5891, t5898, t59, t590, t5902, t5905, t5908, t5911, t5913, t5918, t5922, t5925, t5926, & - | ^~~~ -note: 't590' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1200:55: + 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^~~~~~~~ +note: 'qshell_a' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:459:96: - 1200 | /0.3e1_dp*t288*t142 - (4._dp*t101*t146) - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:991:10: + 459 | ei_interaction_cutoffs(3, kind_a, kind_b)) + | ^ +Warning: 'qshell_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:89: - 991 | t101, t1019, t103, t104, t1051, t1056, t1062, t1066, t1069, t107, t1073, t1076, t1080, & - | ^~~~ -note: 't101' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1196:25: + 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^~~~~~~~ +note: 'qshell_b' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:398:96: - 1196 | t280 = t197*t103 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:991:23: + 398 | ei_interaction_cutoffs(1, kind_a, kind_b)) + | ^ +Warning: 'qcore_a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:45: - 991 | t101, t1019, t103, t104, t1051, t1056, t1062, t1066, t1069, t107, t1073, t1076, t1080, & - | ^~~~ -note: 't103' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1364:56: + 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^~~~~~~ +note: 'qcore_a' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:398:96: - 1364 | t1987 = 0.8333333335e-1_dp*t429*t437*t593 - | ^ -Warning: 't593' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1253:46: + 398 | ei_interaction_cutoffs(1, kind_a, kind_b)) + | ^ +Warning: 'qcore_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:54: - 1253 | t383 = (2._dp*t343*t104 + t79*t380)*E - | ^ -Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:991:29: + 104 | fscalar, mm_radius_a, mm_radius_b, qcore_a, qcore_b, qeff_a, qeff_b, qshell_a, qshell_b, & + | ^~~~~~~ +note: 'qcore_b' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:382:28: - 991 | t101, t1019, t103, t104, t1051, t1056, t1062, t1066, t1069, t107, t1073, t1076, t1080, & - | ^~~~ -note: 't104' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1233:59: + 382 | IF (shell_a == 0) THEN + | ^ +Warning: 'shell_a' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:98:44: - 1233 | *t107*t301 + t111*(t304 + t329*t335))*Clda - | ^ -Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:991:70: + 98 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type + | ^~~~~~~ +note: 'shell_a' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:388:33: - 991 | t101, t1019, t103, t104, t1051, t1056, t1062, t1066, t1069, t107, t1073, t1076, t1080, & - | ^~~~ -note: 't107' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1267:66: + 388 | ELSE IF (shell_b == 0) THEN + | ^ +Warning: 'shell_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:98:53: - 1267 | - 3._dp*t107*t385 + t111*(t388 + t403*t335))*Clda - | ^ + 98 | j, kind_a, kind_b, nkind, npairs, shell_a, shell_b, shell_type + | ^~~~~~~ +note: 'shell_b' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_lyp.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:565:24: + + 565 | t240 = t1*ndrho + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:369:82: + + 369 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^~ +note: 't1' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:660:22: + + 660 | t411 = t3*t10 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:369:86: + + 369 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^~~ +note: 't10' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:636:97: + + 636 | *t117*t130) + (2._dp*t330*t368))*t134 + | ^ Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:10: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:371:38: - 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, & - | ^~~~ + 371 | t1060, t1073, t1079, t1082, t109, t11, t110, t1100, t111, t1110, t1114, t1117, t112, & + | ^~~~ note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1112:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:521:24: - 1112 | t131 = t11*t130 + 521 | t165 = t11*t164 | ^ Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:30: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:371:44: - 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, & - | ^~~ + 371 | t1060, t1073, t1079, t1082, t109, t11, t110, t1100, t111, t1110, t1114, t1117, t112, & + | ^~~ note: 't11' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:377:17: - - 377 | t5929, t593, t5932, t5938, t5940, t5942, t5944, t5949, t5952 - | ^~~~ -note: 't593' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1182:85: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:638:29: - 1182 | *t248) - t113*t251 - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:54: + 638 | t376 = t111*t93*t138 + | ^ +Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:371:62: - 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, & - | ^~~~ -note: 't113' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1175:25: + 371 | t1060, t1073, t1079, t1082, t109, t11, t110, t1100, t111, t1110, t1114, t1117, t112, & + | ^~~~ +note: 't111' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:636:97: - 1175 | t241 = t114*t240 - | ^ + 636 | *t117*t130) + (2._dp*t330*t368))*t134 + | ^ Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:60: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:10: - 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, & - | ^~~~ + 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & + | ^~~~ note: 't114' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1213:25: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:697:97: - 1213 | t315 = t314*t115 - | ^ -Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1136:55: + 697 | *t117*t130) + (2._dp*t330*t485))*t134 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:36: - 1136 | t1552 = 0.1666666668e0_dp*t289*t597*t290 - | ^ -Warning: 't597' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:66: + 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & + | ^~~~ +note: 't117' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:794:24: - 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, & - | ^~~~ -note: 't115' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1263:67: + 794 | t875 = t97*t118 + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:42: - 1263 | t401 = 2._dp*t389*t116 + t113*t393 - t113*t396 - t113*t399 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:79: + 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & + | ^~~~ +note: 't118' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:621:25: - 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, & - | ^~~~ -note: 't116' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1110:23: + 621 | t344 = t119*t343 + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:48: - 1110 | t129 = t12*rho + 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & + | ^~~~ +note: 't119' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:519:23: + + 519 | t163 = t12*rho | ^ Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:10: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:54: - 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & - | ^~~ + 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & + | ^~~ note: 't12' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1234:70: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:633:43: - 1234 | e_rho = e_rho + (-0.4e1_dp/0.3e1_dp*t235*t122 - t76*t340)*sx0 - | ^ + 633 | + t355*t363/0.2e1_dp) + | ^ +Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:72: + + 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & + | ^~~~ +note: 't121' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:633:43: + + 633 | + t355*t363/0.2e1_dp) + | ^ Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:22: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:85: - 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & - | ^~~~ + 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & + | ^~~~ note: 't122' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1145:23: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:622:27: - 1145 | t190 = t42*t13 - | ^ + 622 | t345 = t123*sscale + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:91: + + 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & + | ^~~~ +note: 't123' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_mm.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:618:24: + + 618 | t340 = t70*t125 + | ^ +Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:373:17: + + 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & + | ^~~~ +note: 't125' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:694:58: + + 694 | t484 = t342*(t472*t345*t126 + t355*t480/0.2e1_dp) + | ^ +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:373:30: + + 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & + | ^~~~ +note: 't126' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:633:43: + + 633 | + t355*t363/0.2e1_dp) + | ^ +Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:373:43: + + 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & + | ^~~~ +note: 't127' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:633:43: + + 633 | + t355*t363/0.2e1_dp) + | ^ Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:52: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:373:56: - 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & - | ^~~ + 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & + | ^~~ note: 't13' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1142:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:697:97: - 1142 | t186 = t14*t185 + 697 | *t117*t130) + (2._dp*t330*t485))*t134 + | ^ +Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:373:61: + + 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & + | ^~~~ +note: 't130' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:637:25: + + 637 | t374 = t135*t136 + | ^ +Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:373:87: + + 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & + | ^~~~ +note: 't135' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:640:60: + + 640 | t381 = (-t372*t139 - 0.7e1_dp/0.2e1_dp*t374*t377)*E + | ^ +Warning: 't139' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:374:71: + + 374 | t1358, t136, t1362, t1365, t1369, t1372, t138, t1382, t1388, t139, t1392, t1395, t14, & + | ^~~~ +note: 't139' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:552:24: + + 552 | t220 = t14*t219 | ^ Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:378:73: - - 378 | REAL(KIND=dp) :: t5954, t5956, t5958, t5960, t5963, t5964, t5966, t597, t5971, t5973, t5975, & - | ^~~~ -note: 't597' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:93: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:374:91: - 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & - | ^~~ + 374 | t1358, t136, t1362, t1365, t1369, t1372, t138, t1382, t1388, t139, t1392, t1395, t14, & + | ^~~ note: 't14' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1194:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:669:59: - 1194 | t276 = t15*t103 + 669 | *t142*t384 + t145*(t387 + t412*t418))*Clda + | ^ +Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:375:17: + + 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 + | ^~~~ +note: 't142' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:713:66: + + 713 | - 3._dp*t142*t497 + t145*(t500 + t515*t418))*Clda + | ^ +Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:375:23: + + 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 + | ^~~~ +note: 't143' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:592:85: + + 592 | *t282) - t147*t285 + | ^ +Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:375:55: + + 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 + | ^~~~ +note: 't147' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:585:25: + + 585 | t275 = t148*t274 + | ^ +Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:375:61: + + 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 + | ^~~~ +note: 't148' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:649:25: + + 649 | t398 = t397*t149 + | ^ +Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:375:67: + + 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 + | ^~~~ +note: 't149' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:559:24: + + 559 | t231 = t164*t15 | ^ Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:40: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:375:73: - 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & - | ^~~ + 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 + | ^~~ note: 't15' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1251:47: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:709:67: - 1251 | t379 = 2._dp*t372*t16 + 4._dp*t376*t29 + 709 | t513 = 2._dp*t501*t150 + t147*t505 - t147*t508 - t147*t511 + | ^ +Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:24: + + 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & + | ^~~~ +note: 't150' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:670:70: + + 670 | e_rho = e_rho + (-0.4e1_dp/0.3e1_dp*t269*t156 - t76*t423)*sx0 + | ^ +Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:50: + + 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & + | ^~~~ +note: 't156' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:568:47: + + 568 | t245 = 2._dp*t237*t16 + 4._dp*t242*t29 | ^ Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:93: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:75: - 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & - | ^~~ + 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & + | ^~~ note: 't16' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1131:49: - - 1131 | t1543 = 0.3333333336e0_dp*t55*t598 - | ^ -Warning: 't598' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1163:22: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:573:22: - 1163 | t219 = a4*t18 + 573 | t253 = a4*t18 | ^ Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:52: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:64: - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & - | ^~~ + 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & + | ^~~ note: 't18' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1117:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:527:24: - 1117 | t140 = t19*t139 + 527 | t174 = t19*t173 | ^ Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:93: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:16: - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & - | ^~~ + 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & + | ^~~ note: 't19' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1108:23: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:517:23: - 1108 | t125 = t2*t124 + 517 | t159 = t2*t158 | ^ Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:46: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:51: - 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 - | ^~ + 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & + | ^~ note: 't2' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1122:53: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:532:53: - 1122 | 0.3e1_dp*t140*t142 - (4._dp*t22*t146) + 532 | 0.3e1_dp*t174*t176 - (4._dp*t22*t180) | ^ Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:71: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:33: - 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & - | ^~~ + 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & + | ^~~ note: 't22' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1120:27: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:620:24: - 1120 | t146 = t24*t44*t28 - | ^ + 620 | t343 = t120*t24 + | ^ Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:40: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:16: - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & - | ^~~ + 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & + | ^~~ note: 't24' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1136:32: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:546:32: - 1136 | t173 = 0.1e1_dp/t25/t12 + 546 | t207 = 0.1e1_dp/t25/t12 | ^ Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:379:24: - - 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & - | ^~~~ -note: 't598' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:75: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:63: - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & - | ^~~ + 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & + | ^~~ note: 't25' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1118:23: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:528:23: - 1118 | t141 = t26*t28 + 528 | t175 = t26*t28 | ^ Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:28: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:92: - 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & - | ^~~ + 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & + | ^~~ note: 't26' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1120:27: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:530:27: - 1120 | t146 = t24*t44*t28 + 530 | t180 = t24*t44*t28 | ^ Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:87: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:70: - 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & - | ^~~ + 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & + | ^~~ note: 't28' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_debug.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1251:47: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:576:64: - 1251 | t379 = 2._dp*t372*t16 + 4._dp*t376*t29 - | ^ + 576 | t261 = 4._dp*t250*t29 + 5._dp*t254*t47 + 6._dp*t258*t63 + | ^ Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_debug.F semi_empirical_int_debug.F90 -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:22: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:22: - 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 | ^~~ note: 't29' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1228:28: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:627:24: - 1228 | t332 = 0.1e1_dp/t31 - | ^ + 627 | t358 = t31*t188 + | ^ Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:91: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:42: - 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & - | ^~~ + 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & + | ^~~ note: 't31' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1160:43: - - 1160 | t1596 = 0.320e2_dp*t605*t318 - | ^ -Warning: 't605' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1128:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:538:24: - 1128 | t157 = t32*t156 + 538 | t191 = t32*t190 | ^ Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:46: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:53: - 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & - | ^~~ + 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & + | ^~~ note: 't32' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1130:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:540:24: - 1130 | t159 = t33*t139 + 540 | t193 = t33*t173 | ^ Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:381:31: - - 381 | t6044, t6047, t6049, t605, t6052, t6053, t6056, t6058, t6060, t6063, t6066, t6074, t6075, & - | ^~~~ -note: 't605' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:10: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:82: - 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & - | ^~~ + 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & + | ^~~ note: 't33' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1140:73: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:550:73: - 1140 | /0.3e1_dp*t167*t169 - (5._dp*t40*t175) - (8._dp*t53*t181) + 550 | /0.3e1_dp*t201*t203 - (5._dp*t40*t209) - (8._dp*t53*t215) | ^ Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:51: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:40: - 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & - | ^~~ + 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & + | ^~~ note: 't34' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1165:26: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:575:26: - 1165 | t224 = a5*t36*t52 + 575 | t258 = a5*t36*t52 | ^ Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:22: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:22: - 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 + 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^~~ note: 't36' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1133:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:543:24: - 1133 | t167 = t37*t166 + 543 | t201 = t37*t200 | ^ Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:51: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:57: - 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 - | ^~~ + 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & + | ^~~ note: 't37' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1158:32: - - 1158 | t1592 = t949*t608 - | ^ -Warning: 't608' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1140:73: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:550:73: - 1140 | /0.3e1_dp*t167*t169 - (5._dp*t40*t175) - (8._dp*t53*t181) + 550 | /0.3e1_dp*t201*t203 - (5._dp*t40*t209) - (8._dp*t53*t215) | ^ Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:26: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:67: - 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & - | ^~~ + 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & + | ^~~ note: 't40' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:382:24: - - 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & - | ^~~~ -note: 't608' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1145:23: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:555:23: - 1145 | t190 = t42*t13 + 555 | t224 = t42*t13 | ^ Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:85: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:88: - 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & - | ^~~ + 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + | ^~~ note: 't42' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1134:23: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:544:23: - 1134 | t168 = t44*t46 + 544 | t202 = t44*t46 | ^ Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1006:34: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:52: - 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, & - | ^~~ + 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & + | ^~~ note: 't44' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1137:28: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:547:28: - 1137 | t175 = t42*t173*t46 + 547 | t209 = t42*t207*t46 | ^ Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: - - 2260 | *t105*t5118 - | ^ -Warning: 't609' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:382:37: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:93: - 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & - | ^~~~ -note: 't609' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1169:32: + 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & + | ^~~ +note: 't46' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:576:64: - 1169 | t1608 = t953*t614 - | ^ -Warning: 't614' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:383:73: + 576 | t261 = 4._dp*t250*t29 + 5._dp*t254*t47 + 6._dp*t258*t63 + | ^ +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:22: - 383 | t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & - | ^~~~ -note: 't614' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: + 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 + | ^~~ +note: 't47' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:532:53: - 2260 | *t105*t5118 - | ^ -Warning: 't615' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:383:93: + 532 | 0.3e1_dp*t174*t176 - (4._dp*t22*t180) + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:54: - 383 | t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & - | ^~~~ -note: 't615' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1188:50: + 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & + | ^~ +note: 't5' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:550:73: - 1188 | t1636 = 0.5600000000e2_dp*t624*t115 - | ^ -Warning: 't624' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:386:38: + 550 | /0.3e1_dp*t201*t203 - (5._dp*t40*t209) - (8._dp*t53*t215) + | ^ +Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:45: - 386 | t6219, t6222, t6223, t6227, t624, t6247, t6249, t6252, t6253, t6256, t6257, t6260, t6263, & - | ^~~~ -note: 't624' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2386:51: + 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & + | ^~~ +note: 't53' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:548:31: - 2386 | t5480 = 0.1760000000e3_dp*t5060*t627 - | ^ -Warning: 't627' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:387:24: + 548 | t215 = t58/t59/rho*t61 + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:392:56: - 387 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, & - | ^~~~ -note: 't627' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: + 392 | t557, t56, t566, t569, t570, t577, t579, t58, t59, t6, t61, t616, t620, t621, t627, t628, & + | ^~~ +note: 't59' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:548:31: - 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 - | ^ -Warning: 't628' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:387:37: + 548 | t215 = t58/t59/rho*t61 + | ^ +Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:392:65: - 387 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, & - | ^~~~ -note: 't628' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1207:37: + 392 | t557, t56, t566, t569, t570, t577, t579, t58, t59, t6, t61, t616, t620, t621, t627, t628, & + | ^~~ +note: 't61' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:576:64: - 1207 | t1677 = t368*t635*t371 - | ^ -Warning: 't635' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:17: + 576 | t261 = 4._dp*t250*t29 + 5._dp*t254*t47 + 6._dp*t258*t63 + | ^ +Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:393:10: - 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & - | ^~~~ -note: 't635' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: + 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & + | ^~~ +note: 't63' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:665:24: - 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 - | ^ -Warning: 't637' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:44: + 665 | t416 = t415*t65 + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:393:27: - 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & - | ^~~~ -note: 't637' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1398:32: + 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & + | ^~~ +note: 't65' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:579:25: - 1398 | t2054 = t786*t640 - | ^ -Warning: 't640' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:85: - - 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & - | ^~~~ -note: 't640' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1178:32: - - 1178 | t1621 = t645*t233 - | ^ -Warning: 't645' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:38: - - 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & - | ^~~~ -note: 't645' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: - - 2260 | *t105*t5118 - | ^ -Warning: 't646' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:51: - - 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & - | ^~~~ -note: 't646' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1316:55: - - 1316 | t1881 = 0.1666666667e0_dp*t165*t437*t649 - | ^ -Warning: 't649' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:71: - - 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & - | ^~~~ -note: 't649' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1132:49: - - 1132 | t1545 = 0.3333333336e0_dp*t55*t650 - | ^ -Warning: 't650' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:10: - - 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & - | ^~~~ -note: 't650' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1219:49: - - 1219 | t1693 = 0.3333333336e0_dp*t55*t653 - | ^ -Warning: 't653' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:30: - - 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & - | ^~~~ -note: 't653' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1415:39: - - 1415 | t2081*t575*t2082 - | ^ -Warning: 't658' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:70: - - 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & - | ^~~~ -note: 't658' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1368:55: - - 1368 | t1997 = 0.1666666667e0_dp*t165*t171*t668 - | ^ -Warning: 't668' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:73: - - 391 | t6603, t6611, t6620, t6621, t6630, t6640, t6658, t6665, t6669, t668 - | ^~~~ -note: 't668' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1312:39: - - 1312 | t1871 = 2*t147*t393*t672 - | ^ -Warning: 't672' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:29: - - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^~~~ -note: 't672' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2306:68: - - 2306 | *t462*t4729 + 0.3333333334e0_dp*t55*t57*t5276 - | ^ -Warning: 't673' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:35: - - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^~~~ -note: 't673' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1305:56: - - 1305 | t1852 = 0.8333333335e-1_dp*t429*t679*t290 - | ^ -Warning: 't679' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:41: - - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^~~~ -note: 't679' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1313:54: - - 1313 | t1874 = 0.3333333334e0_dp*t170*t689*t25 - | ^ -Warning: 't689' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:52: - - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^~~~ -note: 't689' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1234:32: - - 1234 | t1718 = t705*t266 - | ^ -Warning: 't705' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:72: - - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^~~~ -note: 't705' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1428:33: - - 1428 | t2118 = t707*t2117 - | ^ -Warning: 't707' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:78: - - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^~~~ -note: 't707' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1424:54: - - 1424 | + t1752 - t1754 - t1757 - t1760 - | ^ -Warning: 't708' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:84: - - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^~~~ -note: 't708' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1419:32: - - 1419 | t2099 = t709*t237 - | ^ -Warning: 't709' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:90: - - 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & - | ^~~~ -note: 't709' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1278:51: - - 1278 | t1797 = 0.8999999998e1_dp*t1795*t710 - | ^ -Warning: 't710' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:15: - - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^~~~ -note: 't710' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1232:31: - - 1232 | t1715 = t713*t67 - | ^ -Warning: 't713' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:21: - - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^~~~ -note: 't713' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1424:54: - - 1424 | + t1752 - t1754 - t1757 - t1760 - | ^ -Warning: 't716' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:27: - - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^~~~ -note: 't716' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1250:50: - - 1250 | t1752 = 0.1851851853e0_dp*t719*t512 - | ^ -Warning: 't719' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:33: - - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^~~~ -note: 't719' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1006:69: - - 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, & - | ^~~ -note: 't46' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1166:64: - - 1166 | t227 = 4._dp*t216*t29 + 5._dp*t220*t47 + 6._dp*t224*t63 - | ^ -Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1244:36: - - 1244 | t1737 = t722*t561*t65 - | ^ -Warning: 't722' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1006:86: - - 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, & - | ^~~ -note: 't47' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1122:53: - - 1122 | 0.3e1_dp*t140*t142 - (4._dp*t22*t146) - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:39: - - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^~~~ -note: 't722' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1006:91: - - 1006 | t428, t430, t434, t438, t44, t441, t445, t454, t457, t458, t46, t465, t467, t47, t5, & - | ^~ -note: 't5' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1140:73: - - 1140 | /0.3e1_dp*t167*t169 - (5._dp*t40*t175) - (8._dp*t53*t181) - | ^ -Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1007:51: - - 1007 | t504, t508, t509, t515, t516, t52, t520, t53, t535, t54, t543, t552, t56, t567, t574, & - | ^~~ -note: 't53' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1138:31: - - 1138 | t181 = t58/t59/rho*t61 - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1008:15: - - 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, & - | ^~~ -note: 't59' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1138:31: - - 1138 | t181 = t58/t59/rho*t61 - | ^ -Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1276:51: - - 1276 | t1794 = 0.1000000001e1_dp*t723*t1712 - | ^ -Warning: 't723' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1008:36: - - 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, & - | ^~~ -note: 't61' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:45: - - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^~~~ -note: 't723' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1166:64: - - 1166 | t227 = 4._dp*t216*t29 + 5._dp*t220*t47 + 6._dp*t224*t63 - | ^ -Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1008:47: - - 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, & - | ^~~ -note: 't63' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1229:24: - - 1229 | t333 = t332*t65 - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1008:70: - - 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, & - | ^~~ -note: 't65' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1169:25: - - 1169 | t231 = t66*ndrho + 579 | t265 = t66*ndrho | ^ Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1008:87: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:393:44: - 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, & - | ^~~ + 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & + | ^~~ note: 't66' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1124:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:534:24: - 1124 | t151 = t150*t67 + 534 | t185 = t184*t67 | ^ Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1270:32: - - 1270 | t1782 = t728*t267 - | ^ -Warning: 't728' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1008:92: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:393:55: - 1008 | t58, t59, t596, t6, t605, t61, t624, t63, t633, t640, t644, t65, t650, t656, t66, t67, & - | ^~~ + 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & + | ^~~ note: 't67' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:51: - - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^~~~ -note: 't728' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1152:81: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:562:81: - 1152 | *t68*t199) + 562 | *t68*t233) | ^ Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1009:22: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:393:66: - 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, & - | ^~~ + 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & + | ^~~ note: 't68' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1150:28: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:560:28: - 1150 | t199 = t69*t197*t71 + 560 | t233 = t69*t231*t71 | ^ Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1009:33: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:393:77: - 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, & - | ^~~ + 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & + | ^~~ note: 't69' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1252:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:618:24: - 1252 | t380 = t70*t379 + 618 | t340 = t70*t125 | ^ Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1274:51: - - 1274 | t1789 = 0.5555555558e-1_dp*t508*t729 - | ^ -Warning: 't729' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1009:42: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:393:86: - 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, & - | ^~~ + 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & + | ^~~ note: 't70' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:57: - - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^~~~ -note: 't729' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: - 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) - | ^ + 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) + | ^ Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1009:58: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:394:21: - 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, & - | ^~~ + 394 | t71, t716, t72, t73, t735, t74, t744, t751, t755, t76, t761, t77, t778, t78, t784, t788, & + | ^~~ note: 't72' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1171:56: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:581:56: - 1171 | dQndrho = t213*t73 - t157*t229 + 2._dp*t232*t73 + 581 | dQndrho = t247*t73 - t191*t263 + 2._dp*t266*t73 | ^ Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1231:51: - - 1231 | t1714 = 0.5000000001e0_dp*t732*t1712 - | ^ -Warning: 't732' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1009:63: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:394:26: - 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, & - | ^~~ + 394 | t71, t716, t72, t73, t735, t74, t744, t751, t755, t76, t761, t77, t778, t78, t784, t788, & + | ^~~ note: 't73' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1172:23: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:582:23: - 1172 | t235 = t74*f89 + 582 | t269 = t74*f89 | ^ Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:63: - - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^~~~ -note: 't732' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1009:68: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:394:37: - 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, & - | ^~~ + 394 | t71, t716, t72, t73, t735, t74, t744, t751, t755, t76, t761, t77, t778, t78, t784, t788, & + | ^~~ note: 't74' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1234:70: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:670:70: - 1234 | e_rho = e_rho + (-0.4e1_dp/0.3e1_dp*t235*t122 - t76*t340)*sx0 + 670 | e_rho = e_rho + (-0.4e1_dp/0.3e1_dp*t269*t156 - t76*t423)*sx0 | ^ Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1009:79: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:394:60: - 1009 | t674, t678, t68, t681, t69, t7, t70, t71, t714, t72, t73, t74, t759, t76, t766, t77, & - | ^~~ + 394 | t71, t716, t72, t73, t735, t74, t744, t751, t755, t76, t761, t77, t778, t78, t784, t788, & + | ^~~ note: 't76' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1211:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:647:24: - 1211 | t311 = t78*t131 + 647 | t394 = t78*t165 | ^ Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1353:31: - - 1353 | t1966 = t56*t735 - | ^ -Warning: 't735' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1010:22: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:394:82: - 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84 - | ^~~ + 394 | t71, t716, t72, t73, t735, t74, t744, t751, t755, t76, t761, t77, t778, t78, t784, t788, & + | ^~~ note: 't78' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:69: - - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^~~~ -note: 't735' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1182:85: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:592:85: - 1182 | *t248) - t113*t251 + 592 | *t282) - t147*t285 | ^ Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1010:27: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:395:10: - 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84 - | ^~~ + 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & + | ^~~ note: 't79' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1176:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:586:24: - 1176 | t244 = t197*t80 + 586 | t278 = t231*t80 | ^ Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1010:36: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:395:25: - 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84 - | ^~~ + 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & + | ^~~ note: 't80' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1241:53: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:677:53: - 1241 | t352 = 2._dp*t343*t81 + t79*t347 - t113*t350 + 677 | t435 = 2._dp*t426*t81 + t79*t430 - t147*t433 | ^ Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1010:47: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:395:30: - 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84 - | ^~~ + 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & + | ^~~ note: 't81' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1230:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:685:49: - 1230 | t334 = t333*t83 - | ^ + 685 | *t435 + 3._dp*t105*t93*t435) + | ^ Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1010:76: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:395:47: - 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84 - | ^~~ + 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & + | ^~~ note: 't83' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1220:31: - - 1220 | t1694 = t45*t739 - | ^ -Warning: 't739' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:75: - - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^~~~ -note: 't739' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1214:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:650:24: - 1214 | t317 = t154*t84 + 650 | t400 = t188*t84 | ^ Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1010:81: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:395:52: - 1010 | t773, t777, t78, t79, t8, t80, t806, t81, t811, t812, t820, t828, t83, t84 - | ^~~ + 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & + | ^~~ note: 't84' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1188:35: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:598:35: - 1188 | t266 = t263*t66 - t86*t250 + 598 | t300 = t297*t66 - t86*t284 | ^ Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1011:54: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:395:75: - 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, & - | ^~~ + 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & + | ^~~ note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1186:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:596:24: - 1186 | t260 = t197*t88 + 596 | t294 = t231*t88 | ^ Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - - 1832 | *t3339 - | ^ -Warning: 't1000' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1011:77: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:396:16: - 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, & - | ^~~ + 396 | t878, t88, t887, t888, t889, t89, t9, t905, t91, t910, t911 + | ^~~ note: 't88' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1245:47: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:681:41: - 1245 | t364 = f12*(2._dp*t343*t89 + t79*t361) - | ^ + 681 | t446 = 2._dp*t426*t89 + t79*t444 + | ^ Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:86: - - 273 | REAL(KIND=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t1000, t1002, & - | ^~~~~ -note: 't1000' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1011:82: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:396:39: - 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, & - | ^~~ + 396 | t878, t88, t887, t888, t889, t89, t9, t905, t91, t910, t911 + | ^~~ note: 't89' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1116:27: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:525:32: - 1116 | t139 = t21/t9/t136 - | ^ + 525 | t172 = 0.1e1_dp/t9/t170 + | ^ Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1011:87: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:396:44: - 1011 | REAL(KIND=dp) :: t847, t848, t849, t851, t852, t86, t865, t871, t874, t88, t89, t9, t902, & - | ^~ + 396 | t878, t88, t887, t888, t889, t89, t9, t905, t91, t910, t911 + | ^~ note: 't9' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1233:59: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:607:43: - 1233 | *t107*t301 + t111*(t304 + t329*t335))*Clda + 607 | + 3._dp*t105*t93*t287) + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:396:54: + + 396 | t878, t88, t887, t888, t889, t89, t9, t905, t91, t910, t911 + | ^~~ +note: 't91' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:669:59: + + 669 | *t142*t384 + t145*(t387 + t412*t418))*Clda | ^ Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1012:22: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:397:24: - 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989 - | ^~~ + 397 | REAL(KIND=dp) :: t92, t923, t924, t93, t930, t933, t94, t95, t952, t956, t968, t97, t975, & + | ^~~ note: 't92' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1204:22: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:638:29: - 1204 | t299 = t93**2 - | ^ + 638 | t376 = t111*t93*t138 + | ^ Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1012:27: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:397:41: - 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989 - | ^~~ + 397 | REAL(KIND=dp) :: t92, t923, t924, t93, t930, t933, t94, t95, t952, t956, t968, t97, t975, & + | ^~~ note: 't93' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't1004' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1183:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:593:24: - 1183 | t254 = t94*t253 + 593 | t288 = t94*t287 | ^ Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1012:32: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:397:58: - 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989 - | ^~~ + 397 | REAL(KIND=dp) :: t92, t923, t924, t93, t930, t933, t94, t95, t952, t956, t968, t97, t975, & + | ^~~ note: 't94' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:10: - - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^~~~~ -note: 't1004' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1233:59: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:669:59: - 1233 | *t107*t301 + t111*(t304 + t329*t335))*Clda + 669 | *t142*t384 + t145*(t387 + t412*t418))*Clda | ^ Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1012:37: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:397:63: - 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989 - | ^~~ + 397 | REAL(KIND=dp) :: t92, t923, t924, t93, t930, t933, t94, t95, t952, t956, t968, t97, t975, & + | ^~~ note: 't95' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1197:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 1197 | t283 = t97*t124 - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1012:42: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't158' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:63: - 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989 - | ^~~ -note: 't97' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1200:55: + 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & + | ^~~~ +note: 't158' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:726:70: - 1200 | /0.3e1_dp*t288*t142 - (4._dp*t101*t146) - | ^ -Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1012:47: + 726 | *t550) + | ^ +Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:69: - 1012 | t906, t909, t92, t93, t94, t95, t97, t98, t989 - | ^~~ -note: 't98' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & + | ^~~~ +note: 't159' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:750:72: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1008' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:17: + 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) + | ^ +Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:80: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^~~~~ -note: 't1008' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & + | ^~~~ +note: 't160' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:737:49: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 737 | t12*t61) + | ^ +Warning: 't163' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:86: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1012' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:24: + 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & + | ^~~~ +note: 't163' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^~~~~ -note: 't1012' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:92: - 1765 | t12*t1058 - | ^ -Warning: 't1014' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:31: + 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & + | ^~~~ +note: 't164' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:899:72: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^~~~~ -note: 't1014' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 + | ^ +Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:10: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1021' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:51: + 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & + | ^~~~ +note: 't165' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:750:72: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^~~~~ -note: 't1021' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) + | ^ +Warning: 't166' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:16: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1024' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:58: + 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & + | ^~~~ +note: 't166' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^~~~~ -note: 't1024' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:34: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1026' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:65: + 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & + | ^~~~ +note: 't172' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^~~~~ -note: 't1026' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 756 | (48._dp*t258*t215) + | ^ +Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:40: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1030' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:78: + 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & + | ^~~~ +note: 't173' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:726:70: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^~~~~ -note: 't1030' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 726 | *t550) + | ^ +Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:46: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1034' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:92: + 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & + | ^~~~ +note: 't174' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:720:25: - 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & - | ^~~~~ -note: 't1034' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 720 | t542 = t175*t169 + | ^ +Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:52: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1036' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:10: + 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & + | ^~~~ +note: 't175' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^~~~~ -note: 't1036' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + 756 | (48._dp*t258*t215) + | ^ +Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:58: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't1044' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:30: + 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & + | ^~~~ +note: 't176' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^~~~~ -note: 't1044' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + 756 | (48._dp*t258*t215) + | ^ +Warning: 't180' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:69: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't1046' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:37: + 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & + | ^~~~ +note: 't180' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^~~~~ -note: 't1046' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:75: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1050' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:50: + 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & + | ^~~~ +note: 't183' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^~~~~ -note: 't1050' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40: + 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) + | ^ +Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:81: - 2726 | *t1054*t640*t3679 - | ^ -Warning: 't1054' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:57: + 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & + | ^~~~ +note: 't184' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:748:53: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^~~~~ -note: 't1054' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:28: + 748 | t227 + 0.6e1_dp*t68*t69*t632*t71 + | ^ +Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:87: - 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & - | ^~~~ -note: 't124' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1283:55: + 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & + | ^~~~ +note: 't185' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:728:33: - 1283 | /0.3e1_dp*t140*t434 + (20._dp*t22*t438) - | ^ -Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:34: + 728 | t566 = 0.1e1_dp/t187/t65 + | ^ +Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:93: - 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & - | ^~~~ -note: 't125' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: + 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & + | ^~~~ +note: 't187' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:804:25: - 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 - | ^ -Warning: 't1055' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 804 | t930 = t183*t188 + | ^ +Warning: 't188' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:10: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:64: + 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & + | ^~~~ +note: 't188' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:751:25: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^~~~~ -note: 't1055' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:40: + 751 | t655 = t246*t190 + | ^ +Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:21: - 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & - | ^~~~ -note: 't126' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1294:49: + 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & + | ^~~~ +note: 't190' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: - 1294 | t12*t61) - | ^ -Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:46: + 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) + | ^ +Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:27: - 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & - | ^~~~ -note: 't129' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1297:24: + 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & + | ^~~~ +note: 't191' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:770:63: - 1297 | t515 = t42*t130 - | ^ -Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:57: + 770 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 + | ^ +Warning: 't192' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:33: - 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & - | ^~~~ -note: 't130' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1398:132: + 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & + | ^~~~ +note: 't192' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:737:49: - 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 - | ^ -Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:63: + 737 | t12*t61) + | ^ +Warning: 't193' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:39: - 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & - | ^~~~ -note: 't131' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: + 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & + | ^~~~ +note: 't193' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:738:24: - 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 - | ^ -Warning: 't1058' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 738 | t620 = t199*t13 + | ^ +Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:45: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:69: + 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & + | ^~~~ +note: 't199' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: - 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & - | ^~~~ -note: 't132' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:78: + 756 | (48._dp*t258*t215) + | ^ +Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:60: - 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & - | ^~~~~ -note: 't1058' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & + | ^~~~ +note: 't200' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:737:49: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't139' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:87: + 737 | t12*t61) + | ^ +Warning: 't201' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:66: - 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & - | ^~~~ -note: 't139' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1283:55: + 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & + | ^~~~ +note: 't201' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:737:49: - 1283 | /0.3e1_dp*t140*t434 + (20._dp*t22*t438) - | ^ -Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:10: + 737 | t12*t61) + | ^ +Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:72: - 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & - | ^~~~ -note: 't140' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1278:25: + 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & + | ^~~~ +note: 't202' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: - 1278 | t430 = t141*t135 - | ^ -Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:16: + 756 | (48._dp*t258*t215) + | ^ +Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:78: - 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & - | ^~~~ -note: 't141' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & + | ^~~~ +note: 't203' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:737:49: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:22: + 737 | t12*t61) + | ^ +Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:84: - 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & - | ^~~~ -note: 't142' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40: + 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & + | ^~~~ +note: 't207' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: - 2726 | *t1054*t640*t3679 - | ^ -Warning: 't1060' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:10: + 756 | (48._dp*t258*t215) + | ^ +Warning: 't209' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:90: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^~~~~ -note: 't1060' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & + | ^~~~ +note: 't209' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:28: + 756 | (48._dp*t258*t215) + | ^ +Warning: 't215' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:15: - 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & - | ^~~~ -note: 't146' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: + 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & + | ^~~~ +note: 't215' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:904:33: - 1380 | *t331*t333*t253) - | ^ -Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:34: + 904 | *t148*t404*t1117 + | ^ +Warning: 't218' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:21: - 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & - | ^~~~ -note: 't149' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: + 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & + | ^~~~ +note: 't218' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:748:53: - 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) - | ^ -Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:45: + 748 | t227 + 0.6e1_dp*t68*t69*t632*t71 + | ^ +Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:27: - 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & - | ^~~~ -note: 't150' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & + | ^~~~ +note: 't219' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: - 1858 | *t321*t953*t1625 - | ^ -Warning: 't1063' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1305:53: + 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) + | ^ +Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:38: - 1305 | t193 + 0.6e1_dp*t68*t69*t520*t71 - | ^ -Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:51: + 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & + | ^~~~ +note: 't220' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: - 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & - | ^~~~ -note: 't151' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:17: + 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) + | ^ +Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:44: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^~~~~ -note: 't1063' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1285:33: + 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & + | ^~~~ +note: 't222' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:748:53: - 1285 | t454 = 0.1e1_dp/t153/t65 - | ^ -Warning: 't153' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:57: + 748 | t227 + 0.6e1_dp*t68*t69*t632*t71 + | ^ +Warning: 't223' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:50: - 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & - | ^~~~ -note: 't153' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1331:24: + 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & + | ^~~~ +note: 't223' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:860:26: - 1331 | t656 = t31*t154 - | ^ -Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:63: + 860 | t1082 = t425*t224 + | ^ +Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:56: - 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & - | ^~~~ -note: 't154' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1308:25: + 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & + | ^~~~ +note: 't224' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:899:72: - 1308 | t543 = t212*t156 - | ^ -Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:69: + 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 + | ^ +Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:62: - 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & - | ^~~~ -note: 't156' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: + 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & + | ^~~~ +note: 't225' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: - 1832 | *t3339 - | ^ -Warning: 't1064' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: + 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) + | ^ +Warning: 't228' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:74: - 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) - | ^ -Warning: 't157' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:75: + 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & + | ^~~~ +note: 't228' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: - 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & - | ^~~~ -note: 't157' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:24: + 869 | - t147*t148*t1114 + | ^ +Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:80: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^~~~~ -note: 't1064' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1326:63: + 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & + | ^~~~ +note: 't231' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: - 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158 - | ^ -Warning: 't158' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:81: + 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) + | ^ +Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:86: - 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & - | ^~~~ -note: 't158' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1294:49: + 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & + | ^~~~ +note: 't233' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:750:72: - 1294 | t12*t61) - | ^ -Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:87: + 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) + | ^ +Warning: 't236' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:92: - 994 | t140, t141, t142, t146, t149, t15, t150, t151, t153, t154, t156, t157, t158, t159, t16, & - | ^~~~ -note: 't159' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1295:24: + 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & + | ^~~~ +note: 't236' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:750:72: - 1295 | t508 = t165*t13 - | ^ -Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:10: + 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) + | ^ +Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:10: - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & | ^~~~ -note: 't165' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: - - 1312 | (48._dp*t224*t181) - | ^ -Warning: 't166' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:16: - - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & - | ^~~~ -note: 't166' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1294:49: +note: 't237' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:905:30: - 1294 | t12*t61) - | ^ -Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:22: + 905 | t1352 = 0.1e1_dp/t240 + | ^ +Warning: 't240' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:21: - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & - | ^~~~ -note: 't167' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1932:34: + 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & + | ^~~~ +note: 't240' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:750:72: - 1932 | t1292*t1829 - | ^ -Warning: 't1067' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1294:49: + 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) + | ^ +Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:27: - 1294 | t12*t61) - | ^ -Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:28: + 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & + | ^~~~ +note: 't241' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:750:72: - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & - | ^~~~ -note: 't168' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:31: + 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) + | ^ +Warning: 't242' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:33: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^~~~~ -note: 't1067' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: + 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & + | ^~~~ +note: 't242' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:906:33: - 1312 | (48._dp*t224*t181) - | ^ -Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:34: + 906 | t1358 = t1059*t1060*t245 + | ^ +Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:39: - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & - | ^~~~ -note: 't169' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1294:49: + 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & + | ^~~~ +note: 't245' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:770:63: - 1294 | t12*t61) - | ^ -Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:40: + 770 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 + | ^ +Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:45: - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & - | ^~~~ -note: 't173' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: + 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & + | ^~~~ +note: 't246' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: - 1312 | (48._dp*t224*t181) - | ^ -Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:46: + 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) + | ^ +Warning: 't247' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:51: - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & - | ^~~~ -note: 't175' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: + 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & + | ^~~~ +note: 't247' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: - 1312 | (48._dp*t224*t181) + 756 | (48._dp*t258*t215) | ^ -Warning: 't181' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:57: +Warning: 't249' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:57: - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & | ^~~~ -note: 't181' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2322:56: - - 2322 | t5320 = 0.3333333336e0_dp*t83*t1071*t4729 - | ^ -Warning: 't1071' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:51: +note: 't249' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^~~~~ -note: 't1071' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1403:32: + 756 | (48._dp*t258*t215) + | ^ +Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:68: - 1403 | *t114*t321*t909 - | ^ -Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:63: + 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & + | ^~~~ +note: 't250' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & - | ^~~~ -note: 't184' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1305:53: + 756 | (48._dp*t258*t215) + | ^ +Warning: 't253' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:74: - 1305 | t193 + 0.6e1_dp*t68*t69*t520*t71 - | ^ -Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:69: + 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & + | ^~~~ +note: 't253' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & - | ^~~~ -note: 't185' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: + 756 | (48._dp*t258*t215) + | ^ +Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:80: - 2035 | *t1246*t3244*t1483 - | ^ -Warning: 't1085' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:85: + 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & + | ^~~~ +note: 't254' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: - 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & - | ^~~~~ -note: 't1085' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: + 756 | (48._dp*t258*t215) + | ^ +Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:86: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't1093' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:10: + 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & + | ^~~~ +note: 't258' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:936:56: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^~~~~ -note: 't1093' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: + 936 | *t148*t983*t1372 - t147*t148*t404*t1395 + | ^ +Warning: 't261' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:10: - 1984 | t192*t68*t4256*t65 - | ^ -Warning: 't1097' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:17: + 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & + | ^~~~ +note: 't261' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^~~~~ -note: 't1097' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: + 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) + | ^ +Warning: 't262' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:16: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't1100' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:36: + 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & + | ^~~~ +note: 't262' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:770:63: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^~~~~ -note: 't1100' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: + 770 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 + | ^ +Warning: 't263' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:22: - 1984 | t192*t68*t4256*t65 - | ^ -Warning: 't1101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:43: + 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & + | ^~~~ +note: 't263' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:770:63: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^~~~~ -note: 't1101' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: + 770 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 + | ^ +Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:28: - 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 - | ^ -Warning: 't1106' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:50: + 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & + | ^~~~ +note: 't265' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^~~~~ -note: 't1106' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: + 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) + | ^ +Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:34: - 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 - | ^ -Warning: 't1109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:57: + 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & + | ^~~~ +note: 't266' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:919:88: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^~~~~ -note: 't1109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: + 919 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t269*t520 - t76*t1369*Clda)*sx0 + | ^ +Warning: 't269' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:40: - 1955 | *t58*t3796*t71 - | ^ -Warning: 't1111' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:64: + 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & + | ^~~~ +note: 't269' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^~~~~ -note: 't1111' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: + 869 | - t147*t148*t1114 + | ^ +Warning: 't272' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:46: - 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 - | ^ -Warning: 't1119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:71: + 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & + | ^~~~ +note: 't272' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^~~~~ -note: 't1119' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: + 869 | - t147*t148*t1114 + | ^ +Warning: 't274' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:52: - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't1122' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:84: + 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & + | ^~~~ +note: 't274' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^~~~~ -note: 't1122' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: + 869 | - t147*t148*t1114 + | ^ +Warning: 't275' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:58: - 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 - | ^ -Warning: 't1125' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:91: + 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & + | ^~~~ +note: 't275' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: - 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & - | ^~~~~ -note: 't1125' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: + 869 | - t147*t148*t1114 + | ^ +Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:64: - 1955 | *t58*t3796*t71 - | ^ -Warning: 't1126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:10: + 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & + | ^~~~ +note: 't278' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:825:51: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^~~~~ -note: 't1126' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: + 825 | *(t628)*(t391) + (4._dp*t394*t406) + | ^ +Warning: 't281' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:75: - 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 - | ^ -Warning: 't1129' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:17: + 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & + | ^~~~ +note: 't281' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^~~~~ -note: 't1129' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: + 869 | - t147*t148*t1114 + | ^ +Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:81: - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't1134' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:24: + 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & + | ^~~~ +note: 't282' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^~~~~ -note: 't1134' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: + 869 | - t147*t148*t1114 + | ^ +Warning: 't284' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:87: - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't1137' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:31: + 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & + | ^~~~ +note: 't284' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^~~~~ -note: 't1137' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2796:40: + 869 | - t147*t148*t1114 + | ^ +Warning: 't285' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:93: - 2796 | t6596 = t5247*t1141*t4733 - | ^ -Warning: 't1141' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:51: + 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & + | ^~~~ +note: 't285' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^~~~~ -note: 't1141' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: + 918 | + t412*t1362 + t412*t1365)) + | ^ +Warning: 't287' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:10: - 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) - | ^ -Warning: 't1142' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: + 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 + | ^~~~ +note: 't287' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:904:33: - 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) - | ^ -Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:75: + 904 | *t148*t404*t1117 + | ^ +Warning: 't288' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:16: - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & - | ^~~~ -note: 't186' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:58: + 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 + | ^~~~ +note: 't288' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:787:132: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^~~~~ -note: 't1142' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: + 787 | *t553*t66 - 2._dp*t297*t284 + 2._dp*t86*t784 - t86*t788)) + | ^ +Warning: 't290' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:27: - 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) - | ^ -Warning: 't188' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:81: + 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 + | ^~~~ +note: 't290' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:873:93: - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & - | ^~~~ -note: 't188' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1305:53: + 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) + | ^ +Warning: 't291' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:33: - 1305 | t193 + 0.6e1_dp*t68*t69*t520*t71 - | ^ -Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:87: + 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 + | ^~~~ +note: 't291' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:873:93: - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & - | ^~~~ -note: 't189' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1384:25: + 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) + | ^ +Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:39: - 1384 | t874 = t342*t190 - | ^ -Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:10: + 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 + | ^~~~ +note: 't294' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:873:93: - 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 - | ^~~~ -note: 't190' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2506:57: + 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) + | ^ +Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:45: - 2506 | t5801 = 0.3600000000e2_dp*t1143*t479*t5002 - | ^ -Warning: 't1143' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1398:132: + 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 + | ^~~~ +note: 't297' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:787:132: - 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 + 787 | *t553*t66 - 2._dp*t297*t284 + 2._dp*t86*t784 - t86*t788)) | ^ -Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:16: - - 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 - | ^~~~ -note: 't191' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:65: +Warning: 't300' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:55: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^~~~~ -note: 't1143' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: + 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 + | ^~~~ +note: 't300' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:873:93: - 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) - | ^ -Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:28: + 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) + | ^ +Warning: 't301' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:61: - 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 - | ^~~~ -note: 't194' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: + 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 + | ^~~~ +note: 't301' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: - 1392 | *t902 - t113*t114*t906 - | ^ -Warning: 't197' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:34: + 892 | *t71*t678)/0.2e1_dp) + | ^ +Warning: 't303' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:67: - 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 - | ^~~~ -note: 't197' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: + 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 + | ^~~~ +note: 't303' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: - 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) - | ^ -Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:40: + 918 | + t412*t1362 + t412*t1365)) + | ^ +Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:24: - 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 - | ^~~~ -note: 't199' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1307:72: + 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & + | ^~~~ +note: 't304' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146) - | ^ -Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:55: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:30: - 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 - | ^~~~ -note: 't202' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1307:72: + 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & + | ^~~~ +note: 't306' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: - 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146) - | ^ -Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2529:57: + 918 | + t412*t1362 + t412*t1365)) + | ^ +Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:36: - 2529 | t5864 = 0.1800000000e2_dp*t473*t1150*t4729 - | ^ -Warning: 't1150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:61: + 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & + | ^~~~ +note: 't307' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: - 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 - | ^~~~ -note: 't203' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:78: + 892 | *t71*t678)/0.2e1_dp) + | ^ +Warning: 't314' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:47: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^~~~~ -note: 't1150' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1404:30: + 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & + | ^~~~ +note: 't314' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: - 1404 | t1056 = 0.1e1_dp/t206 - | ^ -Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:67: + 892 | *t71*t678)/0.2e1_dp) + | ^ +Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:58: - 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 - | ^~~~ -note: 't206' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1307:72: + 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & + | ^~~~ +note: 't321' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:789:24: - 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146) - | ^ -Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:73: + 789 | t854 = t323*t83 + | ^ +Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:64: - 996 | t190, t191, t193, t194, t197, t199, t2, t20, t202, t203, t206, t207 - | ^~~~ -note: 't207' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1307:72: + 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & + | ^~~~ +note: 't323' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 1307 | - 0.16e2_dp/0.3e1_dp*t207*t139*t142 - (16._dp*t208*t146) - | ^ -Warning: 't208' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:24: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:70: - 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & - | ^~~~ -note: 't208' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29: + 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & + | ^~~~ +note: 't326' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: - 1976 | *t3382 - | ^ -Warning: 't1157' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1405:31: + 892 | *t71*t678)/0.2e1_dp) + | ^ +Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:76: - 1405 | t1062 = t851*t852*t211 - | ^ -Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:35: + 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & + | ^~~~ +note: 't327' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & - | ^~~~ -note: 't211' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:85: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't336' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:16: - 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & - | ^~~~~ -note: 't1157' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1326:63: + 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & + | ^~~~ +note: 't336' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:797:25: - 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158 - | ^ -Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:41: + 797 | t888 = t338*t887 + | ^ +Warning: 't338' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:28: - 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & - | ^~~~ -note: 't212' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: + 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & + | ^~~~ +note: 't338' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_subsys.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_subsys.F input_cp2k_subsys.F90 +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) - | ^ -Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:47: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:34: - 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & - | ^~~~ -note: 't213' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: + 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & + | ^~~~ +note: 't339' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:877:45: - 1312 | (48._dp*t224*t181) - | ^ -Warning: 't215' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:53: + 877 | + t888*t148*t889*t261) + | ^ +Warning: 't340' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:45: - 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & - | ^~~~ -note: 't215' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: + 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & + | ^~~~ +note: 't340' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 1312 | (48._dp*t224*t181) - | ^ -Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:51: - 1966 | *t478*t183*t3918 - | ^ -Warning: 't1161' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:59: + 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & + | ^~~~ +note: 't342' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:800:30: - 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & - | ^~~~ -note: 't216' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:10: + 800 | t910 = t119*t343*t123 + | ^ +Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:57: - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^~~~~ -note: 't1161' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: + 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & + | ^~~~ +note: 't343' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 1312 | (48._dp*t224*t181) - | ^ -Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:65: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't344' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:63: - 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & - | ^~~~ -note: 't219' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: + 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & + | ^~~~ +note: 't344' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 1312 | (48._dp*t224*t181) - | ^ -Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:76: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't345' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:69: - 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & - | ^~~~ -note: 't220' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1312:34: + 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & + | ^~~~ +note: 't345' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 1312 | (48._dp*t224*t181) - | ^ -Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:82: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:75: - 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & - | ^~~~ -note: 't224' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: + 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & + | ^~~~ +note: 't347' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 - | ^ -Warning: 't227' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:88: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't355' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:81: - 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & - | ^~~~ -note: 't227' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: + 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & + | ^~~~ +note: 't355' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:801:27: - 2035 | *t1246*t3244*t1483 - | ^ -Warning: 't1168' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: + 801 | t911 = sscale*t356 + | ^ +Warning: 't356' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:87: - 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) - | ^ -Warning: 't228' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:17: + 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & + | ^~~~ +note: 't356' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^~~~~ -note: 't1168' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:997:94: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:93: - 997 | REAL(KIND=dp) :: t208, t21, t211, t212, t213, t215, t216, t219, t22, t220, t224, t227, t228, & - | ^~~~ -note: 't228' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1326:63: + 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & + | ^~~~ +note: 't357' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: - 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158 - | ^ -Warning: 't229' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:10: + 869 | - t147*t148*t1114 + | ^ +Warning: 't358' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:10: - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^~~~ -note: 't229' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1326:63: +note: 't358' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 1326 | *t158*t624 + 2._dp*t32*t66*t4*t14*t158 - | ^ -Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:16: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't359' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:16: - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^~~~ -note: 't231' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: - - 2035 | *t1246*t3244*t1483 - | ^ -Warning: 't1172' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:24: - - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^~~~~ -note: 't1172' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1319:122: - - 1319 | *t199) + (2._dp*t157*t131*t228) - (4._dp*t232*t199) - | ^ -Warning: 't232' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:22: +note: 't359' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & - | ^~~~ -note: 't232' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1423:88: + 892 | *t71*t678)/0.2e1_dp) + | ^ +Warning: 't361' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:27: - 1423 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t235*t408 - t76*t1073*Clda)*sx0 - | ^ -Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:28: + 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & + | ^~~~ +note: 't361' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & - | ^~~~ -note: 't235' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't362' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:33: - 1392 | *t902 - t113*t114*t906 - | ^ -Warning: 't238' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:34: + 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & + | ^~~~ +note: 't362' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & - | ^~~~ -note: 't238' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2512:57: + 892 | *t71*t678)/0.2e1_dp) + | ^ +Warning: 't363' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:39: - 2512 | t5819 = 0.1800000000e2_dp*t478*t1176*t4729 - | ^ -Warning: 't1176' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: + 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & + | ^~~~ +note: 't363' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: - 1392 | *t902 - t113*t114*t906 - | ^ -Warning: 't240' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:45: + 892 | *t71*t678)/0.2e1_dp) + | ^ +Warning: 't367' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:45: - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^~~~ -note: 't240' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:31: - - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^~~~~ -note: 't1176' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: +note: 't367' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: - 1392 | *t902 - t113*t114*t906 - | ^ -Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:51: + 892 | *t71*t678)/0.2e1_dp) + | ^ +Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:51: - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^~~~ -note: 't241' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: - - 1392 | *t902 - t113*t114*t906 - | ^ -Warning: 't244' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:57: - - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & - | ^~~~ -note: 't244' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1357:94: +note: 't368' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:806:25: - 1357 | *t114*t820*t640) - (t113*t114*t321*t681) - | ^ -Warning: 't247' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:63: + 806 | t952 = t372*t136 + | ^ +Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:62: - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & - | ^~~~ -note: 't247' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: + 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & + | ^~~~ +note: 't372' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: - 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 - | ^ -Warning: 't1189' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: + 918 | + t412*t1362 + t412*t1365)) + | ^ +Warning: 't374' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:68: - 1392 | *t902 - t113*t114*t906 - | ^ -Warning: 't248' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:69: + 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & + | ^~~~ +note: 't374' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & - | ^~~~ -note: 't248' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:38: + 918 | + t412*t1362 + t412*t1365)) + | ^ +Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:74: - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^~~~~ -note: 't1189' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: + 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & + | ^~~~ +note: 't376' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: - 1392 | *t902 - t113*t114*t906 - | ^ -Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:80: + 918 | + t412*t1362 + t412*t1365)) + | ^ +Warning: 't377' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:80: - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^~~~ -note: 't250' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: +note: 't377' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: - 1392 | *t902 - t113*t114*t906 - | ^ -Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:86: + 918 | + t412*t1362 + t412*t1365)) + | ^ +Warning: 't381' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:86: - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^~~~ -note: 't251' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - - 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 - | ^ -Warning: 't1192' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: +note: 't381' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't253' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:92: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:92: - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & + 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & | ^~~~ -note: 't253' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:58: - - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^~~~~ -note: 't1192' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1403:32: - - 1403 | *t114*t321*t909 - | ^ -Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:10: - - 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & - | ^~~~ -note: 't254' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: +note: 't383' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: - 1380 | *t331*t333*t253) + 918 | + t412*t1362 + t412*t1365)) | ^ -Warning: 't256' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:16: - - 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & - | ^~~~ -note: 't256' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: - - 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 - | ^ -Warning: 't1193' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:65: +Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:10: - 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 - | ^~~~~ -note: 't1193' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & + | ^~~~ +note: 't384' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't257' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:22: + 869 | - t147*t148*t1114 + | ^ +Warning: 't388' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:22: - 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & | ^~~~ -note: 't257' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: +note: 't388' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:899:72: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't260' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:33: + 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 + | ^ +Warning: 't390' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:33: - 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & | ^~~~ -note: 't260' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - - 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 - | ^ -Warning: 't1194' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: +note: 't390' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:899:72: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't263' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:39: + 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 + | ^ +Warning: 't391' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:39: - 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & | ^~~~ -note: 't263' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:24: - - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^~~~~ -note: 't1194' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: +note: 't391' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: - 1380 | *t331*t333*t253) - | ^ -Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:45: + 869 | - t147*t148*t1114 + | ^ +Warning: 't394' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:45: - 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & | ^~~~ -note: 't266' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: +note: 't394' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:783:26: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't267' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:51: + 783 | *t148*t788 + | ^ +Warning: 't397' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:51: - 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & + 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & | ^~~~ -note: 't267' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: +note: 't397' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:899:72: - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't1200' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:36: + 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 + | ^ +Warning: 't398' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:57: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^~~~~ -note: 't1200' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: + 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & + | ^~~~ +note: 't398' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:825:51: - 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 - | ^ -Warning: 't1201' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_tmc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/input_cp2k_tmc.F input_cp2k_tmc.F90 -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:43: + 825 | *(t628)*(t391) + (4._dp*t394*t406) + | ^ +Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:72: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^~~~~ -note: 't1201' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: + 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & + | ^~~~ +note: 't400' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:904:33: - 1955 | *t58*t3796*t71 - | ^ -Warning: 't1207' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:57: + 904 | *t148*t404*t1117 + | ^ +Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:78: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^~~~~ -note: 't1207' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: + 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & + | ^~~~ +note: 't401' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:904:33: - 1984 | t192*t68*t4256*t65 - | ^ -Warning: 't1213' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:71: + 904 | *t148*t404*t1117 + | ^ +Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:84: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^~~~~ -note: 't1213' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: + 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & + | ^~~~ +note: 't402' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:825:51: - 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 - | ^ -Warning: 't1216' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:78: + 825 | *(t628)*(t391) + (4._dp*t394*t406) + | ^ +Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:90: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^~~~~ -note: 't1216' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: + 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & + | ^~~~ +note: 't404' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:904:33: - 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 - | ^ -Warning: 't1221' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:91: + 904 | *t148*t404*t1117 + | ^ +Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:10: - 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & - | ^~~~~ -note: 't1221' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: + 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + | ^~~~ +note: 't405' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:904:33: - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't1224' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:10: + 904 | *t148*t404*t1117 + | ^ +Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:16: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^~~~~ -note: 't1224' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: + 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + | ^~~~ +note: 't406' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: - 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 - | ^ -Warning: 't1235' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:23: + 918 | + t412*t1362 + t412*t1365)) + | ^ +Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:22: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^~~~~ -note: 't1235' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2498:59: + 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + | ^~~~ +note: 't408' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: - 2498 | t5776 = 0.2777777778e-1_dp*t1246*t1247*t5009 - | ^ -Warning: 't1246' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:44: + 918 | + t412*t1362 + t412*t1365)) + | ^ +Warning: 't409' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:28: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^~~~~ -note: 't1246' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: + 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + | ^~~~ +note: 't409' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:827:27: - 2062 | *t3507 - t3512)*t149*t160 - | ^ -Warning: 't1247' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:51: + 827 | t1056 = t410*t1055 + | ^ +Warning: 't410' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:34: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^~~~~ -note: 't1247' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: + 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + | ^~~~ +note: 't410' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 - | ^ -Warning: 't1264' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:71: + 955 | *t1365)) + | ^ +Warning: 't411' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:40: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^~~~~ -note: 't1264' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: + 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + | ^~~~ +note: 't411' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: - 2062 | *t3507 - t3512)*t149*t160 - | ^ -Warning: 't1275' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:85: + 918 | + t412*t1362 + t412*t1365)) + | ^ +Warning: 't412' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:46: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^~~~~ -note: 't1275' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39: + 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + | ^~~~ +note: 't412' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 2020 | *t429*t1928*t290 - | ^ -Warning: 't1283' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:92: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:52: - 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & - | ^~~~~ -note: 't1283' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: + 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + | ^~~~ +note: 't413' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:907:35: - 2043 | + (2*t147*t1284*t672) - | ^ -Warning: 't1284' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:10: + 907 | t1362 = t414*t415*t261*t83 + | ^ +Warning: 't414' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:58: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^~~~~ -note: 't1284' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2365:57: + 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + | ^~~~ +note: 't414' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:907:35: - 2365 | t5429 = 0.1666666667e0_dp*t445*t1292*t5143 - | ^ -Warning: 't1292' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:24: + 907 | t1362 = t414*t415*t261*t83 + | ^ +Warning: 't415' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:64: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^~~~~ -note: 't1292' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: + 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + | ^~~~ +note: 't415' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:908:31: - 2717 | + 0.4500000000e1_dp*t2009*t4744 - | ^ -Warning: 't1300' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:42: + 908 | t1365 = t414*t416*t435 + | ^ +Warning: 't416' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:70: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^~~~~ -note: 't1300' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1901:33: + 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + | ^~~~ +note: 't416' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: - 1901 | t3939 = t1301*t245 - | ^ -Warning: 't1301' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:49: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:76: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^~~~~ -note: 't1301' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2464:57: + 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + | ^~~~ +note: 't417' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 2464 | t5679 = 0.1875000000e1_dp*t1302*t406*t5002 - | ^ -Warning: 't1302' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:56: + 955 | *t1365)) + | ^ +Warning: 't418' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:82: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^~~~~ -note: 't1302' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2460:57: + 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + | ^~~~ +note: 't418' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:858:55: - 2460 | t5670 = 0.2250000000e1_dp*t400*t1309*t4729 - | ^ -Warning: 't1309' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:63: + 858 | - t76*t1073*Clda)*sx0 + | ^ +Warning: 't423' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:93: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^~~~~ -note: 't1309' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: + 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + | ^~~~ +note: 't423' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:899:72: - 1924 | t1320*t1483 - | ^ -Warning: 't1316' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:76: + 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 + | ^ +Warning: 't425' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:10: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^~~~~ -note: 't1316' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: + 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & + | ^~~~ +note: 't425' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: - 1924 | t1320*t1483 + 869 | - t147*t148*t1114 | ^ -Warning: 't1320' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:89: +Warning: 't426' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:16: - 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & - | ^~~~~ -note: 't1320' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2449:57: + 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & + | ^~~~ +note: 't426' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:899:72: - 2449 | t5641 = 0.1500000000e1_dp*t405*t1333*t4729 - | ^ -Warning: 't1333' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:16: + 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 + | ^ +Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:22: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^~~~~ -note: 't1333' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & + | ^~~~ +note: 't429' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:926:32: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't270' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:57: + 926 | t147*t148*t1392 + | ^ +Warning: 't430' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:28: - 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & - | ^~~~ -note: 't270' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: + 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & + | ^~~~ +note: 't430' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:928:112: - 1380 | *t331*t333*t253) - | ^ -Warning: 't272' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: + 928 | t66 - 2._dp*t440*t432 + 2._dp*t86*t1388 - t86*t1392) + | ^ +Warning: 't432' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:34: - 1911 | *t400*t1333*t1410 - | ^ -Warning: 't1340' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:63: + 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & + | ^~~~ +note: 't432' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:926:32: - 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & - | ^~~~ -note: 't272' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:23: + 926 | t147*t148*t1392 + | ^ +Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:40: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^~~~~ -note: 't1340' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & + | ^~~~ +note: 't433' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + 955 | *t1365)) | ^ -Warning: 't273' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:69: +Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:46: - 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & - | ^~~~ -note: 't273' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: + 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & + | ^~~~ +note: 't435' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:928:112: - 1380 | *t331*t333*t253) - | ^ -Warning: 't276' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:75: + 928 | t66 - 2._dp*t440*t432 + 2._dp*t86*t1388 - t86*t1392) + | ^ +Warning: 't440' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:57: - 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & - | ^~~~ -note: 't276' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: + 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & + | ^~~~ +note: 't440' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:873:93: - 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 - | ^ -Warning: 't1348' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:37: + 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) + | ^ +Warning: 't443' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:63: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^~~~~ -note: 't1348' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & + | ^~~~ +note: 't443' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:928:112: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't277' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:81: + 928 | t66 - 2._dp*t440*t432 + 2._dp*t86*t1388 - t86*t1392) + | ^ +Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:69: - 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & - | ^~~~ -note: 't277' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & + | ^~~~ +note: 't444' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + 955 | *t1365)) | ^ -Warning: 't280' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:999:92: +Warning: 't446' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:75: - 999 | t254, t256, t257, t26, t260, t263, t266, t267, t270, t272, t273, t276, t277, t28, t280, & - | ^~~~ -note: 't280' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: + 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & + | ^~~~ +note: 't446' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 1380 | *t331*t333*t253) + 955 | *t1365)) | ^ -Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: +Warning: 't447' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:81: - 2052 | + 0.3333333334e0_dp*t165*t437*t1688 - | ^ -Warning: 't1360' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:10: + 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & + | ^~~~ +note: 't447' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & - | ^~~~ -note: 't283' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:50: + 955 | *t1365)) + | ^ +Warning: 't449' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:87: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^~~~~ -note: 't1360' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: + 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & + | ^~~~ +note: 't449' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 1380 | *t331*t333*t253) + 955 | *t1365)) | ^ -Warning: 't288' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:16: +Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:10: - 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & - | ^~~~ -note: 't288' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: + 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 + | ^~~~ +note: 't463' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 1380 | *t331*t333*t253) + 955 | *t1365)) | ^ -Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:27: - - 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & - | ^~~~ -note: 't293' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: +Warning: 't465' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:16: - 1784 | t165*t171*t3449 - | ^ -Warning: 't1368' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 + | ^~~~ +note: 't465' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + 892 | *t71*t678)/0.2e1_dp) | ^ -Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:33: +Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:33: - 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 | ^~~~ -note: 't294' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:64: - - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^~~~~ -note: 't1368' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: +note: 't472' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:877:45: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:39: + 877 | + t888*t148*t889*t261) + | ^ +Warning: 't475' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:39: - 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 | ^~~~ -note: 't297' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1341:33: +note: 't475' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 1341 | t759 = 0.1e1_dp/t299/t83 - | ^ -Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:45: + 955 | *t1365)) + | ^ +Warning: 't476' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:45: - 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & + 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 | ^~~~ -note: 't299' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: +note: 't476' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: - 1380 | *t331*t333*t253) + 892 | *t71*t678)/0.2e1_dp) | ^ -Warning: 't300' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2505:40: - - 2505 | t5797 = t1373*t1962*t1829 - | ^ -Warning: 't1373' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:55: - - 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & - | ^~~~ -note: 't300' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:84: +Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:51: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^~~~~ -note: 't1373' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 + | ^~~~ +note: 't478' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) + 892 | *t71*t678)/0.2e1_dp) | ^ -Warning: 't301' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:61: - - 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & - | ^~~~ -note: 't301' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: +Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:57: - 1392 | *t902 - t113*t114*t906 - | ^ -Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:73: + 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 + | ^~~~ +note: 't479' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & - | ^~~~ -note: 't305' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: + 955 | *t1365)) + | ^ +Warning: 't480' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:63: - 2035 | *t1246*t3244*t1483 - | ^ -Warning: 't1377' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1398:132: + 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 + | ^~~~ +note: 't480' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 + 955 | *t1365)) | ^ -Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:79: - - 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & - | ^~~~ -note: 't307' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:91: +Warning: 't484' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:69: - 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & - | ^~~~~ -note: 't1377' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1398:132: + 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 + | ^~~~ +note: 't484' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 + 955 | *t1365)) | ^ -Warning: 't308' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1000:85: +Warning: 't485' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:24: - 1000 | t283, t288, t29, t293, t294, t297, t299, t3, t300, t301, t304, t305, t307, t308, t31, & - | ^~~~ -note: 't308' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: + 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & + | ^~~~ +note: 't485' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:893:26: - 1392 | *t902 - t113*t114*t906 - | ^ -Warning: 't311' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: + 893 | t1263 = t489*t136 + | ^ +Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:30: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't1387' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:10: + 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & + | ^~~~ +note: 't489' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & - | ^~~~ -note: 't311' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:10: + 955 | *t1365)) + | ^ +Warning: 't491' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:36: - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^~~~~ -note: 't1387' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1339:30: + 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & + | ^~~~ +note: 't491' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 1339 | t113*t114*t678 - | ^ -Warning: 't314' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:16: + 955 | *t1365)) + | ^ +Warning: 't495' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:42: - 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & - | ^~~~ -note: 't314' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1398:132: + 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & + | ^~~~ +note: 't495' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 + 955 | *t1365)) | ^ -Warning: 't315' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:22: +Warning: 't497' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:48: - 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & - | ^~~~ -note: 't315' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1357:94: + 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & + | ^~~~ +note: 't497' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:926:32: - 1357 | *t114*t820*t640) - (t113*t114*t321*t681) - | ^ -Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:28: + 926 | t147*t148*t1392 + | ^ +Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:64: - 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & - | ^~~~ -note: 't317' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: + 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & + | ^~~~ +note: 't501' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:926:32: - 2043 | + (2*t147*t1284*t672) - | ^ -Warning: 't1388' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:17: + 926 | t147*t148*t1392 + | ^ +Warning: 't504' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:70: - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^~~~~ -note: 't1388' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1403:32: + 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & + | ^~~~ +note: 't504' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:936:56: - 1403 | *t114*t321*t909 - | ^ -Warning: 't318' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:34: + 936 | *t148*t983*t1372 - t147*t148*t404*t1395 + | ^ +Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:76: - 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & - | ^~~~ -note: 't318' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2442:57: + 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & + | ^~~~ +note: 't505' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:936:56: - 2442 | t5622 = 0.1666666667e0_dp*t165*t1392*t4729 - | ^ -Warning: 't1392' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:24: + 936 | *t148*t983*t1372 - t147*t148*t404*t1395 + | ^ +Warning: 't507' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:82: - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^~~~~ -note: 't1392' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: + 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & + | ^~~~ +note: 't507' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:936:56: - 2099 | t3869 + t4657 + t4696) - | ^ -Warning: 't1409' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:77: + 936 | *t148*t983*t1372 - t147*t148*t404*t1395 + | ^ +Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:88: - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^~~~~ -note: 't1409' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2219:56: + 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & + | ^~~~ +note: 't508' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:936:56: - 2219 | t5022 = 0.1666666667e0_dp*t429*t679*t1410 + 936 | *t148*t983*t1372 - t147*t148*t404*t1395 | ^ -Warning: 't1410' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:90: +Warning: 't510' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:94: - 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & - | ^~~~~ -note: 't1410' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: + 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & + | ^~~~ +note: 't510' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:936:56: - 2099 | t3869 + t4657 + t4696) - | ^ -Warning: 't1411' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:10: + 936 | *t148*t983*t1372 - t147*t148*t404*t1395 + | ^ +Warning: 't511' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:10: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^~~~~ -note: 't1411' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2380:51: + 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & + | ^~~~ +note: 't511' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 2380 | t5468 = 0.2346666666e3_dp*t605*t1420 - | ^ -Warning: 't1420' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:31: + 955 | *t1365)) + | ^ +Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:16: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^~~~~ -note: 't1420' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2385:55: + 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & + | ^~~~ +note: 't513' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 2385 | t5478 = 0.240e2_dp*t1616*t973*t645*t1425 - | ^ -Warning: 't1425' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:38: + 955 | *t1365)) + | ^ +Warning: 't514' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:22: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^~~~~ -note: 't1425' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2162:56: + 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & + | ^~~~ +note: 't514' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 2162 | t102*t4838 - 0.20e1_dp*t102*t4850 - | ^ -Warning: 't1426' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:45: + 955 | *t1365)) + | ^ +Warning: 't515' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:28: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^~~~~ -note: 't1426' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & + | ^~~~ +note: 't515' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:919:88: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't1429' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:52: + 919 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t269*t520 - t76*t1369*Clda)*sx0 + | ^ +Warning: 't520' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:39: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^~~~~ -note: 't1429' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: + 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & + | ^~~~ +note: 't520' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5671:94: - 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 - | ^ -Warning: 't1438' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:66: + 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) + | ^ +Warning: 'dqndrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:369:63: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^~~~~ -note: 't1438' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1843:34: + 369 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^~~~~~~ +note: 'dqndrho' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5635:90: - 1843 | t3679 = t2565*t1439 - | ^ -Warning: 't1439' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:73: + 5635 | 1.0_dp/Q*(dQrho*dQndrho + d2Qrhondrho) + 1.0_dp/(Q*Q)*dQrho*dQndrho + | ^ +Warning: 'dqrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:369:72: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^~~~~ -note: 't1439' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: + 369 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^~~~~ +note: 'dqrho' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_tb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_tb.F input_cp2k_tb.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_se.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_se.F input_cp2k_se.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_tmc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/input_cp2k_tmc.F input_cp2k_tmc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xpbe_hole_t_c_lr.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_subsys.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_subsys.F90 +/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1684:31: - 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 - | ^ -Warning: 't1440' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:86: + 1684 | t101 = beta*t100 + | ^ +Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1504:21: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^~~~~ -note: 't1440' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2426:53: + 1504 | Arhobrhob, beta, beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, beta_2_3, beta_3_1, & + | ^~~~ +note: 'beta' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1727:51: - 2426 | t5579 = 0.80e1_dp*t102*t327*t645*t1443 - | ^ -Warning: 't1443' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:93: + 1727 | Fx_b = 0.1e1_dp + kappa - kappa/t153 + | ^ +Warning: 'kappa' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1515:38: - 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & - | ^~~~~ -note: 't1443' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2407:45: + 1515 | k_s1rhob, k_srhoa, k_srhob, kappa, kf_a, kf_arhoa, kf_arhoarhoa, kf_b, kf_brhob, & + | ^~~~~ +note: 'kappa' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1726:45: - 2407 | t5535 = 0.640e2_dp*t1582*t1444 + 1726 | t153 = 0.1e1_dp + mu*t150*t135 | ^ -Warning: 't1444' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:10: +Warning: 'mu' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1516:24: - 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 - | ^~~~~ -note: 't1444' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2515:57: + 1516 | kf_brhobrhob, mu + | ^~ +note: 'mu' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1397:29: - 2515 | t5828 = 0.3600000000e2_dp*t473*t1801*t1447 - | ^ -Warning: 't1447' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:17: + 1397 | t132 = t1*t131 + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1242:77: - 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 - | ^~~~~ -note: 't1447' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: + 1242 | REAL(KIND=dp) :: ap, bp, cp, d2f0, myrho, myrhoa, myrhob, Qa, Qf, Qp, t1, t100, t101, t1010, & + | ^~ +note: 't1' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1488:29: - 2234 | + t5032 + t5035 - | ^ -Warning: 't1459' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:44: + 1488 | t276 = t101**2 + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1242:87: - 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 - | ^~~~~ -note: 't1459' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: + 1242 | REAL(KIND=dp) :: ap, bp, cp, d2f0, myrho, myrhoa, myrhob, Qa, Qf, Qp, t1, t100, t101, t1010, & + | ^~~~ +note: 't101' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1505:72: - 2234 | + t5032 + t5035 - | ^ -Warning: 't1466' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:57: + 1505 | t109*(t295*t96 + 0.3177280975e0_dp*t298*t284)*t122 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1244:17: - 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 - | ^~~~~ -note: 't1466' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: + 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & + | ^~~~ +note: 't109' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1404:30: - 1784 | t165*t171*t3449 - | ^ -Warning: 't1470' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:70: + 1404 | t143 = t11*t142 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1244:44: - 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 - | ^~~~~ -note: 't1470' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: + 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & + | ^~~ +note: 't11' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1500:40: - 2234 | + t5032 + t5035 - | ^ -Warning: 't1471' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:24: + 1500 | t294 = t110**(-0.20e1_dp) + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1244:49: - 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & - | ^~~~~ -note: 't1471' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2634:59: + 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & + | ^~~~ +note: 't110' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1498:31: - 2634 | t6112 = 0.5555555556e-1_dp*t1246*t4553*t1483 - | ^ -Warning: 't1483' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:52: + 1498 | t291 = t111*t264 + | ^ +Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1244:69: - 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & - | ^~~~~ -note: 't1483' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2172:57: + 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & + | ^~~~ +note: 't111' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1502:31: - 2172 | t4887 = 0.1800000000e2_dp*t473*t1493*t4729 - | ^ -Warning: 't1493' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:86: + 1502 | t297 = t116*t277 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1246:24: - 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & - | ^~~~~ -note: 't1493' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2175:39: + 1246 | t1154, t1157, t116, t1160, t1165, t1166, t1168, t1171, t1181, t12, t120, t1205, t1208, & + | ^~~~ +note: 't116' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1515:30: - 2175 | t4895 = t478*t1500*t4729 - | ^ -Warning: 't1500' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:28: + 1515 | t316 = t315*t12 + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1246:72: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & - | ^~~~~ -note: 't1500' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1403:32: + 1246 | t1154, t1157, t116, t1160, t1165, t1166, t1168, t1171, t1181, t12, t120, t1205, t1208, & + | ^~~ +note: 't12' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1505:72: - 1403 | *t114*t321*t909 - | ^ -Warning: 't319' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:40: + 1505 | t109*(t295*t96 + 0.3177280975e0_dp*t298*t284)*t122 + | ^ +Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1247:24: - 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & - | ^~~~ -note: 't319' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1357:94: + 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & + | ^~~~ +note: 't122' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1805:29: - 1357 | *t114*t820*t640) - (t113*t114*t321*t681) - | ^ -Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:51: + 1805 | t778 = t125*t1 + | ^ +Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1247:65: - 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & - | ^~~~ -note: 't321' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2540:37: + 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & + | ^~~~ +note: 't125' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1524:31: - 2540 | t5898 = t705*t1504*t65 - | ^ -Warning: 't1504' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1403:32: + 1524 | t327 = t126*t309 + | ^ +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1247:85: - 1403 | *t114*t321*t909 - | ^ -Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:57: + 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & + | ^~~~ +note: 't126' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1529:56: - 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & - | ^~~~ -note: 't322' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:42: + 1529 | t55 + t93 + t127)*sc + | ^ +Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1247:91: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & - | ^~~~~ -note: 't1504' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1403:32: + 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & + | ^~~~ +note: 't127' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1507:30: - 1403 | *t114*t321*t909 - | ^ -Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:63: + 1507 | t306 = t13*t305 + | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1248:30: - 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & - | ^~~~ -note: 't323' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + | ^~~ +note: 't13' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1442:30: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:69: + 1442 | t203 = t15*t202 + | ^ +Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1251:83: - 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & - | ^~~~ -note: 't325' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2557:38: + 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^~~ +note: 't15' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1420:47: - 2557 | t5938 = t192*t728*t1505 - | ^ -Warning: 't1505' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 1420 | t168 = t17**(-0.3333333332e0_dp) + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1256:92: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:75: + 1256 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & + | ^~~ +note: 't17' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1483:30: - 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & - | ^~~~ -note: 't326' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:49: + 1483 | t265 = t18*t264 + | ^ +Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1258:92: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & - | ^~~~~ -note: 't1505' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1359:25: + 1258 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & + | ^~~ +note: 't18' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1529:56: - 1359 | t848 = t327*t847 - | ^ -Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:81: + 1529 | t55 + t93 + t127)*sc + | ^ +Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1262:24: - 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & - | ^~~~ -note: 't327' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 1262 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 + | ^~ +note: 't2' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1441:70: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:87: + 1441 | t37*(t193*t23 + 0.3177280975e0_dp*t196*t180)*t51 + | ^ +Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:46: - 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & - | ^~~~ -note: 't328' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2182:57: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^~~ +note: 't23' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1431:30: - 2182 | t4907 = 0.2250000000e2_dp*t1506*t471*t4905 - | ^ -Warning: 't1506' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:56: + 1431 | t184 = t183*t24 + | ^ +Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:87: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & - | ^~~~~ -note: 't1506' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^~~ +note: 't24' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1422:28: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1001:93: + 1422 | t172 = t29**2 + | ^ +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:22: - 1001 | t311, t314, t315, t317, t318, t319, t32, t321, t322, t323, t325, t326, t327, t328, t329, & - | ^~~~ -note: 't329' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^~~ +note: 't29' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1512:32: - 1380 | *t331*t333*t253) - | ^ -Warning: 't330' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:15: + 1512 | t309 = -t3 - t132 + | ^ +Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:63: - 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & - | ^~~~ -note: 't330' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1406:35: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^~ +note: 't3' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1441:70: - 1406 | t1066 = t331*t332*t227*t83 - | ^ -Warning: 't331' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:21: + 1441 | t37*(t193*t23 + 0.3177280975e0_dp*t196*t180)*t51 + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:16: - 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & - | ^~~~ -note: 't331' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2185:52: + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^~~ +note: 't37' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1436:39: - 2185 | t4911 = 0.8999999998e1_dp*t1507*t4909 - | ^ -Warning: 't1507' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:63: + 1436 | t192 = t39**(-0.20e1_dp) + | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:10: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & - | ^~~~~ -note: 't1507' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1406:35: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^~~ +note: 't39' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1403:35: - 1406 | t1066 = t331*t332*t227*t83 + 1403 | t142 = t4**0.30e1_dp | ^ -Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:27: +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:45: - 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & - | ^~~~ -note: 't332' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1407:31: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^~ +note: 't4' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1434:30: - 1407 | t1069 = t331*t333*t352 - | ^ -Warning: 't333' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:33: + 1434 | t189 = t40*t155 + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:49: - 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & - | ^~~~ -note: 't333' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1380:132: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^~~ +note: 't40' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1438:30: - 1380 | *t331*t333*t253) - | ^ -Warning: 't334' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:39: + 1438 | t195 = t45*t173 + | ^ +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:28: - 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & - | ^~~~ -note: 't334' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^~~ +note: 't45' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1394:42: - 1984 | t192*t68*t4256*t65 - | ^ -Warning: 't1510' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:83: + 1394 | t129 = t5**0.333333333e0_dp + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:34: - 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & - | ^~~~~ -note: 't1510' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^~ +note: 't5' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1441:70: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't335' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:45: + 1441 | t37*(t193*t23 + 0.3177280975e0_dp*t196*t180)*t51 + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:62: - 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & - | ^~~~ -note: 't335' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1382:54: + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^~~ +note: 't51' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1518:30: - 1382 | - t76*t865*Clda)*sx0 - | ^ -Warning: 't340' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:56: + 1518 | t321 = t320*t54 + | ^ +Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:90: - 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & - | ^~~~ -note: 't340' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2191:52: + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^~~ +note: 't54' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1529:56: - 2191 | t4925 = 0.5000000001e0_dp*t1513*t4908 - | ^ -Warning: 't1513' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1398:132: + 1529 | t55 + t93 + t127)*sc + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:52: - 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 - | ^ -Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:62: + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^~~ +note: 't55' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1519:30: - 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & - | ^~~~ -note: 't342' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:10: + 1519 | t322 = t315*t56 + | ^ +Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:69: - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^~~~~ -note: 't1513' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1392:38: + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^~~ +note: 't56' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1475:30: - 1392 | *t902 - t113*t114*t906 - | ^ -Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:68: + 1475 | t255 = t57*t254 + | ^ +Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:22: - 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & - | ^~~~ -note: 't343' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1398:132: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^~~ +note: 't57' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1472:70: - 1398 | *t389*t315) + t113*t15*t535*t115 - t113*t314*t395 - | ^ -Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:74: + 1472 | t73*(t243*t60 + 0.3177280975e0_dp*t246*t232)*t86 + | ^ +Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:26: - 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & - | ^~~~ -note: 't346' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2590:39: + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^~~ +note: 't60' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1464:30: - 2590 | t6021 = t649*t1518*t1722 - | ^ -Warning: 't1518' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1430:41: + 1464 | t236 = t235*t61 + | ^ +Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:85: - 1430 | *t1094 - t113*t114*t1098 - | ^ -Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:80: + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^~~ +note: 't61' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1455:28: - 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & - | ^~~~ -note: 't347' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:31: + 1455 | t224 = t65**2 + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:22: - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^~~~~ -note: 't1518' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^~~ +note: 't65' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1472:70: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't349' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:86: + 1472 | t73*(t243*t60 + 0.3177280975e0_dp*t246*t232)*t86 + | ^ +Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:10: - 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & - | ^~~~ -note: 't349' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1430:41: + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^~~ +note: 't73' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1467:39: - 1430 | *t1094 - t113*t114*t1098 - | ^ -Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1002:92: + 1467 | t242 = t74**(-0.20e1_dp) + | ^ +Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:39: - 1002 | t33, t330, t331, t332, t333, t334, t335, t34, t340, t342, t343, t346, t347, t349, t350, & - | ^~~~ -note: 't350' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2613:42: - - 2613 | t6066 = t1519*t705*t561*t65 - | ^ -Warning: 't1519' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: - - 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 - | ^ -Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:10: - - 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 - | ^~~~ -note: 't352' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:38: - - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^~~~~ -note: 't1519' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2568:34: - - 2568 | t5964 = t1715*t1525 - | ^ -Warning: 't1525' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:52: - - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^~~~~ -note: 't1525' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2193:52: + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^~~ +note: 't74' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1465:30: - 2193 | t4932 = 0.5000000001e0_dp*t1528*t4908 - | ^ -Warning: 't1528' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:59: + 1465 | t239 = t75*t212 + | ^ +Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:86: - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^~~~~ -note: 't1528' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^~~ +note: 't75' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1399:42: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't1531' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:73: + 1399 | t136 = t8**0.333333333e0_dp + | ^ +Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:16: - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^~~~~ -note: 't1531' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2165:42: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^~ +note: 't8' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1469:30: - 2165 | t4864 = t217*t46*t1535*t561 - | ^ -Warning: 't1535' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:80: + 1469 | t245 = t80*t225 + | ^ +Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:20: - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^~~~~ -note: 't1535' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^~~ +note: 't80' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1472:70: - 2099 | t3869 + t4657 + t4696) - | ^ -Warning: 't1536' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:87: + 1472 | t73*(t243*t60 + 0.3177280975e0_dp*t246*t232)*t86 + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1290:57: - 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & - | ^~~~~ -note: 't1536' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: + 1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 + | ^~~ +note: 't86' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1790:29: - 2080 | *t289*t294*t1553 - | ^ -Warning: 't1546' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:31: + 1790 | t757 = t89*t91 + | ^ +Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1291:90: - 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & - | ^~~~~ -note: 't1546' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: + 1291 | REAL(KIND=dp) :: t865, t866, t869, t870, t873, t874, t875, t878, t881, t884, t887, t89, & + | ^~~ +note: 't89' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1786:30: - 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 - | ^ -Warning: 't1547' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:38: + 1786 | t752 = t90*t751 + | ^ +Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1292:38: - 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & - | ^~~~~ -note: 't1547' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2658:56: + 1292 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & + | ^~~ +note: 't90' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1521:30: - 2658 | t6185 = 0.3333333336e0_dp*t289*t597*t1553 - | ^ -Warning: 't1553' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:65: + 1521 | t324 = t317*t92 + | ^ +Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1292:78: - 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & - | ^~~~~ -note: 't1553' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2667:56: + 1292 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & + | ^~~ +note: 't92' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1529:56: - 2667 | t6201 = 0.3333333336e0_dp*t289*t597*t1557 + 1529 | t55 + t93 + t127)*sc | ^ -Warning: 't1557' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:79: +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1292:83: - 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & - | ^~~~~ -note: 't1557' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: + 1292 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & + | ^~~ +note: 't93' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1505:72: - 2088 | *t83*t45*t3581*t140 - | ^ -Warning: 't1564' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:17: + 1505 | t109*(t295*t96 + 0.3177280975e0_dp*t298*t284)*t122 + | ^ +Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1293:28: - 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & - | ^~~~~ -note: 't1564' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: + 1293 | t945, t948, t957, t96, t97, t972, t979, t982, t984, t986, t993, t996, x0p + | ^~~ +note: 't96' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1497:30: - 1894 | *t165*t3865*t237 - | ^ -Warning: 't1565' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:24: + 1497 | t288 = t287*t97 + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1293:33: - 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & - | ^~~~~ -note: 't1565' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: + 1293 | t945, t948, t957, t96, t97, t972, t979, t982, t984, t986, t993, t996, x0p + | ^~~ +note: 't97' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1766:29: - 1894 | *t165*t3865*t237 - | ^ -Warning: 't1568' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:31: + 1766 | t719 = t129*t1 + | ^ +Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1248:17: - 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & - | ^~~~~ -note: 't1568' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2653:56: + 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + | ^~~~ +note: 't129' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1559:29: - 2653 | t6170 = 0.3333333336e0_dp*t289*t597*t1571 - | ^ -Warning: 't1571' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:45: + 1559 | t370 = t130**2 + | ^ +Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1248:35: - 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & - | ^~~~~ -note: 't1571' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: + 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + | ^~~~ +note: 't130' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1719:31: - 2088 | *t83*t45*t3581*t140 - | ^ -Warning: 't1575' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:59: + 1719 | t636 = t635*t131 + | ^ +Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1248:41: - 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & - | ^~~~~ -note: 't1575' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2375:46: + 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + | ^~~~ +note: 't131' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1801:31: - 2375 | t5456 = 0.1280e3_dp*t1582*t1426 - | ^ -Warning: 't1582' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:87: + 1801 | t772 = t125*t133 + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1248:53: - 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & - | ^~~~~ -note: 't1582' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 + | ^~~~ +note: 't133' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1768:29: - 1866 | *t339*t969 - | ^ -Warning: 't1589' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:31: + 1768 | t725 = t136*t1 + | ^ +Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1249:38: - 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & - | ^~~~~ -note: 't1589' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2417:52: + 1249 | REAL(KIND=dp) :: t1346, t1358, t136, t1360, t1361, t1363, t1365, t1368, t137, t1371, t1372, & + | ^~~~ +note: 't136' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1767:31: - 2417 | t5560 = 0.2346666666e3_dp*t1589*t1592 - | ^ -Warning: 't1592' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:45: + 1767 | t722 = t343*t137 + | ^ +Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1249:79: - 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & - | ^~~~~ -note: 't1592' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 1249 | REAL(KIND=dp) :: t1346, t1358, t136, t1360, t1361, t1363, t1365, t1368, t137, t1371, t1372, & + | ^~~~ +note: 't137' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1544:31: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't1597' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:66: + 1544 | t352 = t140*t142 + | ^ +Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1250:66: - 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & - | ^~~~~ -note: 't1597' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & + | ^~~~ +note: 't140' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1692:31: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't1598' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:73: + 1692 | t596 = t141*t305 + | ^ +Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1250:79: - 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & - | ^~~~~ -note: 't1598' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2414:49: + 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & + | ^~~~ +note: 't141' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1773:31: - 2414 | t5551 = 0.1280e3_dp*t24*t298*t1599 - | ^ -Warning: 't1599' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:80: + 1773 | t732 = t315*t142 + | ^ +Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1250:85: - 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & - | ^~~~~ -note: 't1599' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: + 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & + | ^~~~ +note: 't142' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1850:31: - 1832 | *t3339 - | ^ -Warning: 't1602' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 1850 | t833 = t143*t832 + | ^ +Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1250:91: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:16: + 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & + | ^~~~ +note: 't143' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1634:31: - 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 - | ^~~~ -note: 't357' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:17: + 1634 | t491 = t144*t254 + | ^ +Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1251:10: - 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 - | ^~~~~ -note: 't1602' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^~~~ +note: 't144' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1553:31: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't360' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:27: + 1553 | t364 = t147*t202 + | ^ +Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1251:30: - 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 - | ^~~~ -note: 't360' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^~~~ +note: 't147' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't361' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2373:44: + 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1251:43: - 2373 | t5451 = 0.640e2_dp*t605*t1603 - | ^ -Warning: 't1603' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:33: + 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^~~~ +note: 't148' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1705:31: - 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 - | ^~~~ -note: 't361' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:24: + 1705 | t610 = t149*t264 + | ^ +Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1251:63: - 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 - | ^~~~~ -note: 't1603' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^~~~ +note: 't149' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1579:32: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't364' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:39: + 1579 | *t156*t399 + | ^ +Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1251:88: - 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 - | ^~~~ -note: 't364' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & + | ^~~~ +note: 't150' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1706:31: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't366' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:45: + 1706 | t611 = t151*t269 + | ^ +Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1252:17: - 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 - | ^~~~ -note: 't366' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2384:51: + 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + | ^~~~ +note: 't151' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1566:39: - 2384 | t5474 = 0.4266666668e2_dp*t339*t1608 - | ^ -Warning: 't1608' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 1566 | t383 = 0.1e1_dp/t154/t23 + | ^ +Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1252:65: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't371' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:56: + 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + | ^~~~ +note: 't154' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1598:31: - 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 - | ^~~~ -note: 't371' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:45: + 1598 | t439 = t183*t155 + | ^ +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1252:71: - 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 - | ^~~~~ -note: 't1608' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + | ^~~~ +note: 't155' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1579:32: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:62: + 1579 | *t156*t399 + | ^ +Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1252:77: - 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 - | ^~~~ -note: 't372' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + | ^~~~ +note: 't156' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1572:49: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1003:68: + 1572 | t392 = 0.6057068640e0_dp*t157*t337 + | ^ +Warning: 't157' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1252:90: - 1003 | t352, t357, t36, t360, t361, t364, t366, t37, t371, t372, t375 - | ^~~~ -note: 't375' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2403:51: + 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & + | ^~~~ +note: 't157' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1734:31: - 2403 | t5525 = 0.2133333334e2_dp*t339*t1611 - | ^ -Warning: 't1611' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 1734 | t667 = t666*t160 + | ^ +Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1253:84: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_subsys.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_subsys.F input_cp2k_subsys.F90 -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:24: + 1253 | t1570, t1576, t1578, t1580, t1582, t1588, t159, t1590, t1593, t1599, t16, t160, t1602, & + | ^~~~ +note: 't160' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1576:32: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^~~~ -note: 't376' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:65: + 1576 | *t161*t379 + | ^ +Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1254:45: - 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 - | ^~~~~ -note: 't1611' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1422:132: + 1254 | t1603, t1604, t1605, t1606, t1609, t161, t1610, t1611, t1613, t1615, t1620, t1622, t1626, & + | ^~~~ +note: 't161' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1622:54: - 1422 | *t335 - t848*t1062 + t329*t1066 + t329*t1069)) - | ^ -Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:30: + 1622 | t473*t435)*t51 + | ^ +Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1255:17: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^~~~ -note: 't379' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 1255 | t1639, t164, t1653, t1654, t1657, t1659, t1664, t1666, t1668, t167 + | ^~~~ +note: 't164' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1582:31: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:36: + 1582 | t407 = t167*t406 + | ^ +Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1255:72: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^~~~ -note: 't380' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 1255 | t1639, t164, t1653, t1654, t1657, t1659, t1664, t1666, t1668, t167 + | ^~~~ +note: 't167' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1716:31: - 1866 | *t339*t969 - | ^ -Warning: 't1616' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:31: + 1716 | t631 = t630*t168 + | ^ +Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1256:45: - 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & - | ^~~~~ -note: 't1616' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 1256 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & + | ^~~~ +note: 't168' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1622:54: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:42: + 1622 | t473*t435)*t51 + | ^ +Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1256:51: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^~~~ -note: 't383' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 1256 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & + | ^~~~ +note: 't169' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1591:29: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't385' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:48: + 1591 | t427 = t172**2 + | ^ +Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1257:17: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^~~~ -note: 't385' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & + | ^~~~ +note: 't172' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1589:31: - 1858 | *t321*t953*t1625 - | ^ -Warning: 't1617' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1430:41: + 1589 | t421 = t174*t393 + | ^ +Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1257:43: - 1430 | *t1094 - t113*t114*t1098 - | ^ -Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:60: + 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & + | ^~~~ +note: 't174' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1622:54: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^~~~ -note: 't389' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:38: + 1622 | t473*t435)*t51 + | ^ +Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1257:49: - 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & - | ^~~~~ -note: 't1617' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1430:41: + 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & + | ^~~~ +note: 't175' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1596:40: - 1430 | *t1094 - t113*t114*t1098 - | ^ -Warning: 't392' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:71: + 1596 | t434 = 0.1e1_dp/t432*t176 + | ^ +Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1257:69: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^~~~ -note: 't392' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: + 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & + | ^~~~ +note: 't176' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1595:29: - 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 - | ^ -Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:77: + 1595 | t432 = t178**2 + | ^ +Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1258:31: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^~~~ -note: 't393' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2371:47: + 1258 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & + | ^~~~ +note: 't178' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1590:31: - 2371 | t5446 = 0.480e2_dp*t24*t23*t1618 - | ^ -Warning: 't1618' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: + 1590 | t424 = t379*t179 + | ^ +Warning: 't179' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1258:72: - 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 - | ^ -Warning: 't395' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:83: + 1258 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & + | ^~~~ +note: 't179' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1598:31: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^~~~ -note: 't395' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:45: + 1598 | t439 = t183*t155 + | ^ +Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1259:37: - 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & - | ^~~~~ -note: 't1618' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: + 1259 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & + | ^~~~ +note: 't183' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1606:43: - 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 - | ^ -Warning: 't396' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1004:89: + 1606 | t450*t385 - t189*t399 + | ^ +Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1259:71: - 1004 | REAL(KIND=dp) :: t376, t379, t380, t383, t385, t388, t389, t39, t392, t393, t395, t396, & - | ^~~~ -note: 't396' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 1259 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & + | ^~~~ +note: 't184' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1602:31: - 1858 | *t321*t953*t1625 - | ^ -Warning: 't1621' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: + 1602 | t447 = t185*t337 + | ^ +Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1259:77: - 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 - | ^ -Warning: 't398' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:10: + 1259 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & + | ^~~~ +note: 't185' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1754:62: - 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & - | ^~~~ -note: 't398' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:59: + 1754 | *t697*t662)*t122) + | ^ +Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1260:17: - 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & - | ^~~~~ -note: 't1621' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1436:56: + 1260 | t1858, t186, t1868, t1870, t1872, t1884, t1886, t189, t1891, t1893, t1894, t1897, t19, & + | ^~~~ +note: 't186' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1606:43: - 1436 | *t114*t820*t1076 - t113*t114*t321*t1101 - | ^ -Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:16: + 1606 | t450*t385 - t189*t399 + | ^ +Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1260:58: - 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & - | ^~~~ -note: 't399' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2408:44: + 1260 | t1858, t186, t1868, t1870, t1872, t1884, t1886, t189, t1891, t1893, t1894, t1897, t19, & + | ^~~~ +note: 't189' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1609:31: - 2408 | t5537 = 0.160e2_dp*t112*t1622 - | ^ -Warning: 't1622' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:66: + 1609 | t458 = t191*t457 + | ^ +Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1261:24: - 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & - | ^~~~~ -note: 't1622' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + | ^~~~ +note: 't191' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1607:31: - 1858 | *t321*t953*t1625 - | ^ -Warning: 't1625' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:80: + 1607 | t455 = t454*t192 + | ^ +Warning: 't192' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1261:30: - 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & - | ^~~~~ -note: 't1625' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2405:44: + 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + | ^~~~ +note: 't192' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1622:54: - 2405 | t5531 = 0.160e2_dp*t112*t1626 - | ^ -Warning: 't1626' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:87: + 1622 | t473*t435)*t51 + | ^ +Warning: 't193' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1261:36: - 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & - | ^~~~~ -note: 't1626' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + | ^~~~ +note: 't193' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1613:31: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't1631' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:24: + 1613 | t467 = t195*t393 + | ^ +Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1261:63: - 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & - | ^~~~~ -note: 't1631' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2406:44: + 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + | ^~~~ +note: 't195' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1622:54: - 2406 | t5533 = 0.160e2_dp*t112*t1632 - | ^ -Warning: 't1632' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:31: + 1622 | t473*t435)*t51 + | ^ +Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1261:69: - 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & - | ^~~~~ -note: 't1632' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: + 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & + | ^~~~ +note: 't196' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1779:31: - 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 - | ^ -Warning: 't1640' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:65: + 1779 | t743 = t320*t202 + | ^ +Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1262:61: - 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & - | ^~~~~ -note: 't1640' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2387:49: + 1262 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 + | ^~~~ +note: 't202' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1758:35: - 2387 | t5482 = 0.2160000000e3_dp*t7*t1642 - | ^ -Warning: 't1642' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:72: + 1758 | t709 = 0.2e1_dp*t203 + | ^ +Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1262:74: - 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & - | ^~~~~ -note: 't1642' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2162:56: + 1262 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 + | ^~~~ +note: 't203' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1628:31: - 2162 | t102*t4838 - 0.20e1_dp*t102*t4850 - | ^ -Warning: 't1645' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:86: + 1628 | t485 = t204*t254 + | ^ +Warning: 't204' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:24: - 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & - | ^~~~~ -note: 't1645' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2389:54: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^~~~ +note: 't204' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: - 2389 | t5487 = 0.2160000000e3_dp*t7*t995*t1652 - | ^ -Warning: 't1652' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:23: + 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't205' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:37: - 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & - | ^~~~~ -note: 't1652' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2390:52: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^~~~ +note: 't205' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1763:88: - 2390 | t5489 = 0.1600000000e2_dp*t1429*t1658 - | ^ -Warning: 't1658' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:44: + 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc + | ^ +Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:43: - 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & - | ^~~~~ -note: 't1658' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^~~~ +note: 't206' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:31: + 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:49: - 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & - | ^~~~ -note: 't401' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2396:52: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^~~~ +note: 't207' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1648:32: - 2396 | t5507 = 0.120e2_dp*t7*t640*t1667*t371 - | ^ -Warning: 't1667' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 1648 | *t213*t513 + | ^ +Warning: 't208' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:55: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:37: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^~~~ +note: 't208' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1640:39: - 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & - | ^~~~ -note: 't402' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:78: + 1640 | t503 = 0.1e1_dp/t211/t60 + | ^ +Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:61: - 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & - | ^~~~~ -note: 't1667' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1445:81: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^~~~ +note: 't211' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1666:31: - 1445 | + t403*t1066 + t403*t1069) - | ^ -Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:43: + 1666 | t552 = t235*t212 + | ^ +Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:67: - 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & - | ^~~~ -note: 't403' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1423:88: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^~~~ +note: 't212' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1648:32: - 1423 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t235*t408 - t76*t1073*Clda)*sx0 - | ^ -Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1005:49: + 1648 | *t213*t513 + | ^ +Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:73: - 1005 | t398, t399, t4, t40, t401, t402, t403, t408, t410, t412, t415, t418, t419, t42, t425, & - | ^~~~ -note: 't408' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5671:94: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^~~~ +note: 't213' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1645:32: - 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) - | ^ -Warning: 'dqndrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:63: + 1645 | *t214*t379 + | ^ +Warning: 't214' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:79: - 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^~~~~~~ -note: 'dqndrho' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2394:44: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^~~~ +note: 't214' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1687:64: - 2394 | t5499 = 0.120e2_dp*t550*t1669 - | ^ -Warning: 't1669' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5635:90: + 1687 | *t583*t548)*t86)*t91 + | ^ +Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:85: - 5635 | 1.0_dp/Q*(dQrho*dQndrho + d2Qrhondrho) + 1.0_dp/(Q*Q)*dQrho*dQndrho - | ^ -Warning: 'dqrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:72: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^~~~ +note: 't217' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1650:31: - 990 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^~~~~ -note: 'dqrho' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:85: + 1650 | t520 = t220*t406 + | ^ +Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:91: - 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & - | ^~~~~ -note: 't1669' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2392:49: + 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + | ^~~~ +note: 't220' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1687:64: - 2392 | t5494 = 0.6400000000e2_dp*t7*t1677 - | ^ -Warning: 't1677' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:17: + 1687 | *t583*t548)*t86)*t91 + | ^ +Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:10: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^~~~~ -note: 't1677' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2398:38: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^~~~ +note: 't221' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1659:29: - 2398 | t5511 = t1680*t3673*t23 - | ^ -Warning: 't1680' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:31: + 1659 | t540 = t224**2 + | ^ +Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:16: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^~~~~ -note: 't1680' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2393:38: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^~~~ +note: 't224' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1657:31: - 2393 | t5496 = t366*t368*t1681 - | ^ -Warning: 't1681' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:38: + 1657 | t534 = t226*t393 + | ^ +Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:28: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^~~~~ -note: 't1681' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^~~~ +note: 't226' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1687:64: - 1866 | *t339*t969 - | ^ -Warning: 't1684' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:45: + 1687 | *t583*t548)*t86)*t91 + | ^ +Warning: 't227' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:34: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^~~~~ -note: 't1684' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2420:33: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^~~~ +note: 't227' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1664:40: - 2420 | t5565 = t112*t1685 - | ^ -Warning: 't1685' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:52: + 1664 | t547 = 0.1e1_dp/t545*t228 + | ^ +Warning: 't228' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:40: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^~~~~ -note: 't1685' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^~~~ +note: 't228' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1663:29: - 2052 | + 0.3333333334e0_dp*t165*t437*t1688 - | ^ -Warning: 't1688' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:59: + 1663 | t545 = t230**2 + | ^ +Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:51: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^~~~~ -note: 't1688' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^~~~ +note: 't230' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1658:31: - 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 - | ^ -Warning: 't1689' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:66: + 1658 | t537 = t379*t231 + | ^ +Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:57: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^~~~~ -note: 't1689' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2329:55: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^~~~ +note: 't231' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1666:31: - 2329 | t5338 = 0.6666666672e0_dp*t55*t1694*t561 - | ^ -Warning: 't1694' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:80: + 1666 | t552 = t235*t212 + | ^ +Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:69: - 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & - | ^~~~~ -note: 't1694' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^~~~ +note: 't235' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1671:43: - 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 - | ^ -Warning: 't1700' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:28: + 1671 | t560*t505 - t239*t513 + | ^ +Warning: 't236' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:75: - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & - | ^~~~~ -note: 't1700' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^~~~ +note: 't236' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1671:43: - 1894 | *t165*t3865*t237 - | ^ -Warning: 't1703' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:42: + 1671 | t560*t505 - t239*t513 + | ^ +Warning: 't239' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:81: - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & - | ^~~~~ -note: 't1703' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^~~~ +note: 't239' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1674:31: - 2088 | *t83*t45*t3581*t140 - | ^ -Warning: 't1706' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:56: + 1674 | t568 = t241*t567 + | ^ +Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:92: - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & - | ^~~~~ -note: 't1706' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: + 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + | ^~~~ +note: 't241' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1672:31: - 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 - | ^ -Warning: 't1709' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:70: + 1672 | t565 = t564*t242 + | ^ +Warning: 't242' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:10: - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & - | ^~~~~ -note: 't1709' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2600:52: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^~~~ +note: 't242' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1687:64: - 2600 | t6033 = 0.1000000000e1_dp*t5244*t1712 - | ^ -Warning: 't1712' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:83: + 1687 | *t583*t548)*t86)*t91 + | ^ +Warning: 't243' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:16: - 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & - | ^~~~~ -note: 't1712' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2568:34: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^~~~ +note: 't243' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1678:31: - 2568 | t5964 = t1715*t1525 - | ^ -Warning: 't1715' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:10: + 1678 | t577 = t245*t393 + | ^ +Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:22: - 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & - | ^~~~~ -note: 't1715' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^~~~ +note: 't245' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1687:64: - 1955 | *t58*t3796*t71 - | ^ -Warning: 't1718' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:24: + 1687 | *t583*t548)*t86)*t91 + | ^ +Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:28: - 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & - | ^~~~~ -note: 't1718' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2612:52: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^~~~ +note: 't246' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2159:52: - 2612 | t6063 = 0.1000000000e1_dp*t1720*t5956 + 2159 | t1730 = 0.160e2_dp*t755*t756*t252*t91 | ^ -Warning: 't1720' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:44: +Warning: 't252' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:34: - 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & - | ^~~~~ -note: 't1720' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2621:37: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^~~~ +note: 't252' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2167:49: - 2621 | *t6075 - t6078 - | ^ -Warning: 't1722' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:51: + 2167 | t1768 = 0.2400e2_dp*t750*t253*t751 + | ^ +Warning: 't253' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:40: - 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & - | ^~~~~ -note: 't1722' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2589:52: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^~~~ +note: 't253' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1796:31: - 2589 | t6019 = 0.7407407410e-1_dp*t719*t1726 - | ^ -Warning: 't1726' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:65: + 1796 | t764 = t317*t254 + | ^ +Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:46: - 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & - | ^~~~~ -note: 't1726' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2004:32: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^~~~ +note: 't254' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1759:35: - 2004 | t4352 = t1731*t67 - | ^ -Warning: 't1731' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:86: + 1759 | t712 = 0.2e1_dp*t255 + | ^ +Warning: 't255' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:52: - 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & - | ^~~~~ -note: 't1731' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^~~~ +note: 't255' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: - 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 - | ^ -Warning: 't1737' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:10: + 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't256' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:58: - 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 - | ^~~~~ -note: 't1737' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2555:57: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^~~~ +note: 't256' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1799:31: - 2555 | t5929 = 0.2250000000e2_dp*t1740*t471*t4905 - | ^ -Warning: 't1740' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:17: + 1799 | t769 = t732*t257 + | ^ +Warning: 't257' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:64: - 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 - | ^~~~~ -note: 't1740' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2563:52: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^~~~ +note: 't257' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1763:88: - 2563 | t5954 = 0.8999999998e1_dp*t1741*t4909 - | ^ -Warning: 't1741' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:24: + 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc + | ^ +Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:70: - 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 - | ^~~~~ -note: 't1741' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^~~~ +note: 't258' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: - 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 - | ^ -Warning: 't1745' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:38: + 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't259' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:76: - 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 - | ^~~~~ -note: 't1745' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2598:72: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^~~~ +note: 't259' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1715:32: - 2598 | *t6021 + t6025 - 0.5555555558e-1_dp*t58*t5613*t71 - | ^ -Warning: 't1748' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:45: + 1715 | *t265*t627 + | ^ +Warning: 't260' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:82: - 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 - | ^~~~~ -note: 't1748' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^~~~ +note: 't260' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1707:39: - 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 - | ^ -Warning: 't1755' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:66: + 1707 | t617 = 0.1e1_dp/t263/t96 + | ^ +Warning: 't263' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:88: - 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 - | ^~~~~ -note: 't1755' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2604:52: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^~~~ +note: 't263' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1733:31: - 2604 | t6044 = 0.2000000002e1_dp*t1763*t5956 - | ^ -Warning: 't1763' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:51: + 1733 | t666 = t287*t264 + | ^ +Warning: 't264' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:94: - 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & - | ^~~~~ -note: 't1763' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2611:40: + 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + | ^~~~ +note: 't264' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1715:32: - 2611 | t6060 = t1766*t5881*t4940 - | ^ -Warning: 't1766' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:65: + 1715 | *t265*t627 + | ^ +Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:10: - 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & - | ^~~~~ -note: 't1766' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^~~~ +note: 't265' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1712:32: - 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 - | ^ -Warning: 't1769' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:79: + 1712 | *t266*t379 + | ^ +Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:16: - 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & - | ^~~~~ -note: 't1769' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2579:52: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^~~~ +note: 't266' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1754:62: - 2579 | t5985 = 0.5000000001e0_dp*t1774*t4908 - | ^ -Warning: 't1774' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:10: + 1754 | *t697*t662)*t122) + | ^ +Warning: 't269' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:22: - 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & - | ^~~~~ -note: 't1774' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_pade.mod' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2587:52: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^~~~ +note: 't269' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1717:31: - 2587 | t6009 = 0.5000000001e0_dp*t1777*t4908 - | ^ -Warning: 't1777' may be used uninitialized [-Wmaybe-uninitialized] -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:24: + 1717 | t634 = t272*t406 + | ^ +Warning: 't272' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:33: - 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & - | ^~~~~ -note: 't1777' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2616:51: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^~~~ +note: 't272' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1754:62: - 2616 | t6078 = 0.1111111112e0_dp*t719*t1782 - | ^ -Warning: 't1782' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:44: + 1754 | *t697*t662)*t122) + | ^ +Warning: 't273' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:39: - 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & - | ^~~~~ -note: 't1782' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2569:34: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^~~~ +note: 't273' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1726:29: - 2569 | t5966 = t1785*t1790 - | ^ -Warning: 't1785' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:58: + 1726 | t654 = t276**2 + | ^ +Warning: 't276' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:45: - 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & - | ^~~~~ -note: 't1785' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^~~~ +note: 't276' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1724:31: - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't1790' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:79: + 1724 | t648 = t278*t393 + | ^ +Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:57: - 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & - | ^~~~~ -note: 't1790' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2561:52: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^~~~ +note: 't278' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1754:62: - 2561 | t5949 = 0.8999999998e1_dp*t1795*t4909 - | ^ -Warning: 't1795' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:93: + 1754 | *t697*t662)*t122) + | ^ +Warning: 't279' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:63: - 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & - | ^~~~~ -note: 't1795' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2509:58: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^~~~ +note: 't279' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1731:40: - 2509 | t5810 = 0.1080000000e3_dp*t1143*t1801*t1410 - | ^ -Warning: 't1801' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:29: + 1731 | t661 = 0.1e1_dp/t659*t280 + | ^ +Warning: 't280' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:74: - 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & - | ^~~~~ -note: 't1801' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^~~~ +note: 't280' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1730:29: - 1966 | *t478*t183*t3918 - | ^ -Warning: 't1811' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:57: + 1730 | t659 = t282**2 + | ^ +Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:80: - 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & - | ^~~~~ -note: 't1811' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^~~~ +note: 't282' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1725:31: - 1976 | *t3382 - | ^ -Warning: 't1821' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:84: + 1725 | t651 = t379*t283 + | ^ +Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:86: - 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & - | ^~~~~ -note: 't1821' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2637:62: + 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + | ^~~~ +note: 't283' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1733:31: - 2637 | t6123 = 0.1666666667e0_dp*t1246*t446*t1825*t561 - | ^ -Warning: 't1825' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:17: + 1733 | t666 = t287*t264 + | ^ +Warning: 't287' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:10: - 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & - | ^~~~~ -note: 't1825' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2505:40: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^~~~ +note: 't287' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1738:43: - 2505 | t5797 = t1373*t1962*t1829 - | ^ -Warning: 't1829' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:31: + 1738 | t674*t619 - t291*t627 + | ^ +Warning: 't288' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:16: - 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & - | ^~~~~ -note: 't1829' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2538:37: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^~~~ +note: 't288' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1738:43: - 2538 | t5888 = t60*t1836*t709 - | ^ -Warning: 't1836' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:58: + 1738 | t674*t619 - t291*t627 + | ^ +Warning: 't291' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:27: - 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & - | ^~~~~ -note: 't1836' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^~~~ +note: 't291' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1741:31: - 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 - | ^ -Warning: 't1837' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:65: + 1741 | t682 = t293*t681 + | ^ +Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:33: - 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & - | ^~~~~ -note: 't1837' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^~~~ +note: 't293' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1739:31: - 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 - | ^ -Warning: 't1838' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:72: + 1739 | t679 = t678*t294 + | ^ +Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:39: - 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & - | ^~~~~ -note: 't1838' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2036:32: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^~~~ +note: 't294' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1754:62: - 2036 | t4498 = t56*t1843 - | ^ -Warning: 't1843' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:86: + 1754 | *t697*t662)*t122) + | ^ +Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:45: - 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & - | ^~~~~ -note: 't1843' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2633:58: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^~~~ +note: 't295' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1745:31: - 2633 | t6109 = 0.1666666667e0_dp*t1246*t1962*t1865 - | ^ -Warning: 't1865' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:45: + 1745 | t691 = t297*t393 + | ^ +Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:51: - 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & - | ^~~~~ -note: 't1865' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^~~~ +note: 't297' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1754:62: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't1875' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:79: + 1754 | *t697*t662)*t122) + | ^ +Warning: 't298' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:57: - 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & - | ^~~~~ -note: 't1875' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2358:43: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^~~~ +note: 't298' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2144:54: - 2358 | t5421 = t657*t1884*t59*t1975 - | ^ -Warning: 't1884' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:10: + 2144 | t1690 = 0.2400e2_dp*t771*t304*t133*t309 + | ^ +Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:67: - 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & - | ^~~~~ -note: 't1884' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^~~~ +note: 't304' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1809:31: - 2710 | t5011 + t5001 - | ^ -Warning: 't1885' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:17: + 1809 | t783 = t305*t309 + | ^ +Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:73: - 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & - | ^~~~~ -note: 't1885' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^~~~ +note: 't305' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1760:35: - 2043 | + (2*t147*t1284*t672) - | ^ -Warning: 't1886' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:24: + 1760 | t715 = 0.2e1_dp*t306 + | ^ +Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:79: - 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & - | ^~~~~ -note: 't1886' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2457:58: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^~~~ +note: 't306' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1824:31: - 2457 | t5666 = 0.1125000000e2_dp*t1302*t1892*t1410 - | ^ -Warning: 't1892' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:44: + 1824 | t804 = t732*t309 + | ^ +Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:85: - 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & - | ^~~~~ -note: 't1892' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^~~~ +note: 't309' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1819:29: - 1924 | t1320*t1483 - | ^ -Warning: 't1902' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:77: + 1819 | t796 = t312**2 + | ^ +Warning: 't312' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:91: - 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & - | ^~~~~ -note: 't1902' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: + 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + | ^~~~ +note: 't312' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1773:31: - 1924 | t1320*t1483 - | ^ -Warning: 't1912' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:10: + 1773 | t732 = t315*t142 + | ^ +Warning: 't315' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:10: - 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 - | ^~~~~ -note: 't1912' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^~~~ +note: 't315' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1808:31: - 2052 | + 0.3333333334e0_dp*t165*t437*t1688 - | ^ -Warning: 't1924' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:51: + 1808 | t782 = t316*t305 + | ^ +Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:16: - 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 - | ^~~~~ -note: 't1924' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2643:38: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^~~~ +note: 't316' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1796:31: - 2643 | t6141 = t658*t575*t1925 - | ^ -Warning: 't1925' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:58: + 1796 | t764 = t317*t254 + | ^ +Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:22: - 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 - | ^~~~~ -note: 't1925' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^~~~ +note: 't317' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1779:31: - 2020 | *t429*t1928*t290 - | ^ -Warning: 't1928' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:24: + 1779 | t743 = t320*t202 + | ^ +Warning: 't320' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:33: - 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & - | ^~~~~ -note: 't1928' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^~~~ +note: 't320' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1856:88: - 2062 | *t3507 - t3512)*t149*t160 - | ^ -Warning: 't1932' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:31: + 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc + | ^ +Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:39: - 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & - | ^~~~~ -note: 't1932' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^~~~ +note: 't321' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1793:31: - 2043 | + (2*t147*t1284*t672) - | ^ -Warning: 't1940' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:58: + 1793 | t762 = t322*t254 + | ^ +Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:45: - 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & - | ^~~~~ -note: 't1940' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2633:58: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^~~~ +note: 't322' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1856:88: - 2633 | t6109 = 0.1666666667e0_dp*t1246*t1962*t1865 - | ^ -Warning: 't1962' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:30: + 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc + | ^ +Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:51: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & - | ^~~~~ -note: 't1962' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2622:57: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^~~~ +note: 't323' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1856:88: - 2622 | t6087 = 0.1666666667e0_dp*t429*t1966*t1410 - | ^ -Warning: 't1966' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:44: + 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc + | ^ +Warning: 't324' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:57: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & - | ^~~~~ -note: 't1966' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2632:63: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^~~~ +note: 't324' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: - 2632 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672 - | ^ -Warning: 't1971' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:58: + 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:63: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & - | ^~~~~ -note: 't1971' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2632:63: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^~~~ +note: 't325' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1856:88: - 2632 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672 - | ^ -Warning: 't1972' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:65: + 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc + | ^ +Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:69: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & - | ^~~~~ -note: 't1972' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^~~~ +note: 't326' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1842:31: - 2717 | + 0.4500000000e1_dp*t2009*t4744 - | ^ -Warning: 't1973' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:72: + 1842 | t825 = t732*t327 + | ^ +Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:75: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & - | ^~~~~ -note: 't1973' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2757:70: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^~~~ +note: 't327' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1856:88: - 2757 | + t5619 + t5622 - t5625 - t5628 + t5631 + t5716 - | ^ -Warning: 't1974' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:79: + 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc + | ^ +Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:81: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & - | ^~~~~ -note: 't1974' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2358:43: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^~~~ +note: 't328' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: - 2358 | t5421 = t657*t1884*t59*t1975 - | ^ -Warning: 't1975' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:86: + 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc + | ^ +Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:87: - 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & - | ^~~~~ -note: 't1975' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^~~~ +note: 't329' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2246:34: - 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 - | ^ -Warning: 't1981' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:17: + 2246 | *t136*t1986 + | ^ +Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:93: - 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & - | ^~~~~ -note: 't1981' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2479:56: + 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + | ^~~~ +note: 't332' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2163:75: - 2479 | t5722 = 0.1111111111e0_dp*t165*t689*t1988 - | ^ -Warning: 't1988' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:38: + 2163 | t1626 - 0.1200e2_dp*t356*t340*t309 - 0.40e1_dp*t1668 + | ^ +Warning: 't333' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:10: - 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & - | ^~~~~ -note: 't1988' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1896:32: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^~~~ +note: 't333' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2211:32: - 1896 | t3875 = t45*t2002 + 2211 | t1872 = t143*t337 | ^ -Warning: 't2002' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:10: +Warning: 't337' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:16: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^~~~~ -note: 't2002' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^~~~ +note: 't337' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2228:29: - 2717 | + 0.4500000000e1_dp*t2009*t4744 - | ^ -Warning: 't2009' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:24: + 2228 | *t1094 + | ^ +Warning: 't338' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:22: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^~~~~ -note: 't2009' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^~~~ +note: 't338' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2173:64: - 2717 | + 0.4500000000e1_dp*t2009*t4744 - | ^ -Warning: 't2013' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:31: + 2173 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 + | ^ +Warning: 't340' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:33: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^~~~~ -note: 't2013' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^~~~ +note: 't340' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2246:34: - 2717 | + 0.4500000000e1_dp*t2009*t4744 - | ^ -Warning: 't2014' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:38: + 2246 | *t136*t1986 + | ^ +Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:39: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^~~~~ -note: 't2014' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^~~~ +note: 't343' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1949:28: - 2717 | + 0.4500000000e1_dp*t2009*t4744 - | ^ -Warning: 't2018' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:45: + 1949 | t1096 + | ^ +Warning: 't344' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:45: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^~~~~ -note: 't2018' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^~~~ +note: 't344' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2132:34: - 2234 | + t5032 + t5035 - | ^ -Warning: 't2022' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:52: + 2132 | *t136*t1639 + | ^ +Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:51: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^~~~~ -note: 't2022' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^~~~ +note: 't347' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1951:32: - 2779 | *t6271 - | ^ -Warning: 't2027' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:59: + 1951 | t1110 = t350*t142 + | ^ +Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:57: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^~~~~ -note: 't2027' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^~~~ +note: 't350' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1960:32: - 2795 | *t5228*t2117*t2028 - | ^ -Warning: 't2028' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:66: + 1960 | t1137 = t351*t305 + | ^ +Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:63: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^~~~~ -note: 't2028' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2744:46: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^~~~ +note: 't351' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2223:58: - 2744 | *t27*t6291*t172 - t5397 - | ^ -Warning: 't2031' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:79: + 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 + | ^ +Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:69: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^~~~~ -note: 't2031' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: + 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 + | ^~~~ +note: 't352' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2031:32: - 2811 | *t60*t2124*t709 - t6044 - | ^ -Warning: 't2032' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:86: + 2031 | t1363 = t353*t254 + | ^ +Warning: 't353' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:24: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^~~~~ -note: 't2032' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^~~~ +note: 't353' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2151:32: - 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) - | ^ -Warning: 't2035' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:93: + 2151 | t1697 = t315*t355 + | ^ +Warning: 't355' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:30: - 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & - | ^~~~~ -note: 't2035' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2765:63: + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^~~~ +note: 't355' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2163:75: - 2765 | *t575*t161*t1447 + t5773 + t5776 + t5780 - | ^ -Warning: 't2042' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:10: + 2163 | t1626 - 0.1200e2_dp*t356*t340*t309 - 0.40e1_dp*t1668 + | ^ +Warning: 't356' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:36: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^~~~~ -note: 't2042' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2830:73: + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^~~~ +note: 't356' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2094:32: - 2830 | t43*t46*t6339 + t8*(t6344 + t6380 + t6389 + t6665) - | ^ -Warning: 't2046' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:17: + 2094 | t1578 = t357*t254 + | ^ +Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:42: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^~~~~ -note: 't2046' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2826:132: + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^~~~ +note: 't357' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2096:32: - 2826 | + t6442 + t6451 + t6461 + t6479 + t6490 + t6499 + t6658) - | ^ -Warning: 't2050' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:24: + 2096 | t1582 = t359*t254 + | ^ +Warning: 't359' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:48: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^~~~~ -note: 't2050' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40: + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^~~~ +note: 't359' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2030:32: - 2726 | *t1054*t640*t3679 - | ^ -Warning: 't2054' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:31: + 2030 | t1361 = t362*t202 + | ^ +Warning: 't362' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:54: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^~~~~ -note: 't2054' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2722:79: + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^~~~ +note: 't362' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - 2722 | *t327*t2057*t557 - t5456 + t5459 - t5462 + t5466 - t5468 - | ^ -Warning: 't2057' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:38: + 2120 | + t842 - t1609 + | ^ +Warning: 't363' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:60: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^~~~~ -note: 't2057' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2732:78: + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^~~~ +note: 't363' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - 2732 | - t5595 + t5597 - t5600 - t5602 + t5604 + t5607 + t5610 - | ^ -Warning: 't2058' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:45: + 2120 | + t842 - t1609 + | ^ +Warning: 't364' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:66: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^~~~~ -note: 't2058' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2806:69: + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^~~~ +note: 't364' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2186:60: - 2806 | *t2061*t561 + 0.8999999998e1_dp*t178*t62*t6375 - | ^ -Warning: 't2061' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:52: + 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ +Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:72: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^~~~~ -note: 't2061' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2754:90: + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^~~~ +note: 't365' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2035:38: - 2754 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421 - | ^ -Warning: 't2074' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:72: + 2035 | t1372 = t366*t212*t1371 + | ^ +Warning: 't366' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:78: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^~~~~ -note: 't2074' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^~~~ +note: 't366' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1872:31: - 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) - | ^ -Warning: 't2077' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:79: + 1872 | t875 = t367*t874 + | ^ +Warning: 't367' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:84: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^~~~~ -note: 't2077' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_perdew86.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2769:38: + 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & + | ^~~~ +note: 't367' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1865:40: - 2769 | - t6090 + t6094 - | ^ -Warning: 't2081' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:86: + 1865 | t864 = 0.1e1_dp/t370/t130 + | ^ +Warning: 't370' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:21: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^~~~~ -note: 't2081' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^~~~ +note: 't370' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2233:29: - 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) - | ^ -Warning: 't2082' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:93: + 2233 | *t1776 + | ^ +Warning: 't371' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:27: - 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & - | ^~~~~ -note: 't2082' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^~~~ +note: 't371' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2034:32: - 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) - | ^ -Warning: 't2088' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:17: + 2034 | t1371 = t372*t217 + | ^ +Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:33: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^~~~~ -note: 't2088' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82: + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^~~~ +note: 't372' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 - | ^ -Warning: 't2095' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:24: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:45: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^~~~~ -note: 't2095' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41: + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^~~~ +note: 't375' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - 2795 | *t5228*t2117*t2028 - | ^ -Warning: 't2098' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:31: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:51: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^~~~~ -note: 't2098' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29: + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^~~~ +note: 't376' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2038:32: - 2779 | *t6271 - | ^ -Warning: 't2099' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:38: + 2038 | t1380 = t379*t217 + | ^ +Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:57: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^~~~~ -note: 't2099' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2801:60: + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^~~~ +note: 't379' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - 2801 | t6260 + 0.8999999998e1_dp*t5229*t2104 - | ^ -Warning: 't2104' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:45: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:68: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^~~~~ -note: 't2104' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^~~~ +note: 't383' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - 2811 | *t60*t2124*t709 - t6044 - | ^ -Warning: 't2113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:59: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:74: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^~~~~ -note: 't2113' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82: + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^~~~ +note: 't384' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1879:31: - 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 - | ^ -Warning: 't2114' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:66: + 1879 | t893 = t385*t164 + | ^ +Warning: 't385' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:80: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^~~~~ -note: 't2114' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41: + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^~~~ +note: 't385' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1882:49: - 2795 | *t5228*t2117*t2028 - | ^ -Warning: 't2117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:73: + 1882 | t903 = 0.1211413728e1_dp*t388*t873 + | ^ +Warning: 't388' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:86: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^~~~~ -note: 't2117' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82: + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^~~~ +note: 't388' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 - | ^ -Warning: 't2118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:80: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:92: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^~~~~ -note: 't2118' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: + 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & + | ^~~~ +note: 't389' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2052:47: - 2811 | *t60*t2124*t709 - t6044 - | ^ -Warning: 't2124' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:87: + 2052 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:27: - 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & - | ^~~~~ -note: 't2124' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^~~~ +note: 't393' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1886:62: - 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 - | ^ -Warning: 't2126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:10: + 1886 | *t394*t874 - 0.9531842928e0_dp*t161*t887 + | ^ +Warning: 't394' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:33: - 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 - | ^~~~~ -note: 't2126' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2754:90: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^~~~ +note: 't394' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - 2754 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421 - | ^ -Warning: 't2131' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:24: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:39: - 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 - | ^~~~~ -note: 't2131' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2739:79: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^~~~ +note: 't399' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - 2739 | *t6181 - t6185 + t6189 - t6192 - 0.3333333336e0_dp*t6194 - | ^ -Warning: 't2139' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:38: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:54: - 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 - | ^~~~~ -note: 't2139' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2102:56: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^~~~ +note: 't402' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - 2102 | t4704 = 0.3333333336e0_dp*t2147*t84*t4701 - | ^ -Warning: 't2147' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:58: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:60: - 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 - | ^~~~~ -note: 't2147' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^~~~ +note: 't403' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 - | ^ -Warning: 't2182' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:43: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:66: - 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & - | ^~~~~ -note: 't2182' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^~~~ +note: 't406' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - 1851 | *t786*t1034*t1681 - | ^ -Warning: 't2220' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:55: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't407' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:72: - 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & - | ^~~~~ -note: 't2220' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^~~~ +note: 't407' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - 2080 | *t289*t294*t1553 - | ^ -Warning: 't2404' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:82: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:78: - 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & - | ^~~~~ -note: 't2404' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2383:57: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^~~~ +note: 't408' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - 2383 | t5472 = 0.3200000001e2_dp*t321*t2455*t5079 - | ^ -Warning: 't2455' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:44: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't409' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:84: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^~~~~ -note: 't2455' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + | ^~~~ +note: 't409' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - 1858 | *t321*t953*t1625 - | ^ -Warning: 't2468' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:51: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't416' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:10: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^~~~~ -note: 't2468' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^~~~ +note: 't416' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 - | ^ -Warning: 't2480' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:58: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:16: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^~~~~ -note: 't2480' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^~~~ +note: 't417' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 - | ^ -Warning: 't2492' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:71: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't421' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:33: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^~~~~ -note: 't2492' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^~~~ +note: 't421' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1907:30: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't2537' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:89: + 1907 | t1019 = t427**2 + | ^ +Warning: 't427' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:45: - 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & - | ^~~~~ -note: 't2537' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1833:32: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^~~~ +note: 't427' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - 1833 | t3668 = t2552*t23 - | ^ -Warning: 't2552' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:10: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't430' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:57: - 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 - | ^~~~~ -note: 't2552' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^~~~ +note: 't430' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 - | ^ -Warning: 't2565' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:17: + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't431' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:63: - 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 - | ^~~~~ -note: 't2565' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1859:33: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^~~~ +note: 't431' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1910:43: - 1859 | t3750 = t2585*t136 - | ^ -Warning: 't2585' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:38: + 1910 | t1027 = t865/t432/t178*t1025 + | ^ +Warning: 't432' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:69: - 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 - | ^~~~~ -note: 't2585' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2372:57: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^~~~ +note: 't432' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1906:32: - 2372 | t5449 = 0.1173333333e3_dp*t307*t2611*t5065 - | ^ -Warning: 't2611' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:56: + 1906 | t1013 = t874*t434 + | ^ +Warning: 't434' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:75: - 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 - | ^~~~~ -note: 't2611' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^~~~ +note: 't434' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1897:39: - 2088 | *t83*t45*t3581*t140 - | ^ -Warning: 't2631' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:24: + 1897 | *t896 - t189*t914 + | ^ +Warning: 't439' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:87: - 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & - | ^~~~~ -note: 't2631' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^~~~ +note: 't439' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1897:39: - 2080 | *t289*t294*t1553 + 1897 | *t896 - t189*t914 | ^ -Warning: 't2636' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:38: +Warning: 't440' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:93: - 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & - | ^~~~~ -note: 't2636' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: + 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + | ^~~~ +note: 't440' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1889:31: - 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 - | ^ -Warning: 't2707' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:88: + 1889 | t945 = t443*t873 + | ^ +Warning: 't443' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:10: - 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & - | ^~~~~ -note: 't2707' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^~~~ +note: 't443' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - 2035 | *t1246*t3244*t1483 - | ^ -Warning: 't2720' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:16: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:16: - 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & - | ^~~~~ -note: 't2720' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2347:59: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^~~~ +note: 't444' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - 2347 | t5383 = 0.4166666667e-1_dp*t2763*t1247*t5002 - | ^ -Warning: 't2763' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:56: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't447' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:22: - 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & - | ^~~~~ -note: 't2763' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^~~~ +note: 't447' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1897:39: - 1911 | *t400*t1333*t1410 - | ^ -Warning: 't2808' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:83: + 1897 | *t896 - t189*t914 + | ^ +Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:33: - 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & - | ^~~~~ -note: 't2808' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^~~~ +note: 't450' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: - 2710 | t5011 + t5001 - | ^ -Warning: 't2821' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:16: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't454' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:39: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & - | ^~~~~ -note: 't2821' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^~~~ +note: 't454' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: - 1911 | *t400*t1333*t1410 - | ^ -Warning: 't2823' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:23: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:45: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & - | ^~~~~ -note: 't2823' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^~~~ +note: 't455' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: - 1924 | t1320*t1483 - | ^ -Warning: 't2873' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:64: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:51: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & - | ^~~~~ -note: 't2873' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2344:39: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^~~~ +note: 't457' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: - 2344 | t5373 = t2885*t446*t5371 - | ^ -Warning: 't2885' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:78: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't458' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:57: - 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & - | ^~~~~ -note: 't2885' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^~~~ +note: 't458' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: - 2052 | + 0.3333333334e0_dp*t165*t437*t1688 - | ^ -Warning: 't2937' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:17: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't459' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:63: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^~~~~ -note: 't2937' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^~~~ +note: 't459' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: - 2779 | *t6271 - | ^ -Warning: 't2992' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:48: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:69: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^~~~~ -note: 't2992' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^~~~ +note: 't463' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: - 1966 | *t478*t183*t3918 - | ^ -Warning: 't2994' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:55: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:75: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^~~~~ -note: 't2994' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^~~~ +note: 't464' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: - 1966 | *t478*t183*t3918 - | ^ -Warning: 't2998' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:62: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't467' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:81: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^~~~~ -note: 't2998' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^~~~ +note: 't467' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: - 1966 | *t478*t183*t3918 - | ^ -Warning: 't3030' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:82: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:87: - 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & - | ^~~~~ -note: 't3030' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^~~~ +note: 't472' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: - 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 - | ^ -Warning: 't3097' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:56: + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:93: - 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & - | ^~~~~ -note: 't3097' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: + 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & + | ^~~~ +note: 't473' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2166:32: - 2035 | *t1246*t3244*t1483 - | ^ -Warning: 't3244' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:61: + 2166 | t1765 = t320*t479 + | ^ +Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:10: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^~~~~ -note: 't3244' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^~~~ +note: 't479' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1860:35: - 2062 | *t3507 - t3512)*t149*t160 - | ^ -Warning: 't3248' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:68: + 1860 | t842 = 0.3e1_dp*t480 + | ^ +Warning: 't480' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:16: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^~~~~ -note: 't3248' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1933:32: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^~~~ +note: 't480' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2093:32: - 1933 | t4025 = t3262*t57 + 2093 | t1576 = t481*t254 | ^ -Warning: 't3262' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:81: +Warning: 't481' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:22: - 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & - | ^~~~~ -note: 't3262' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1882:32: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^~~~ +note: 't481' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: - 1882 | t3842 = t3278*t46 - | ^ -Warning: 't3278' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:23: + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't482' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:28: - 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 - | ^~~~~ -note: 't3278' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1748:63: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^~~~ +note: 't482' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2110:105: - 1748 | e_rho_rho_rho(ii) = e_rho_rho_rho(ii) + t3291*sx - | ^ -Warning: 't3291' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:49: + 2110 | t1599)*t2)*sc + | ^ +Warning: 't483' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:34: - 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 - | ^~~~~ -note: 't3291' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2113:55: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^~~~ +note: 't483' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: - 2113 | t4732 = 0.6666666672e0_dp*t747*t84*t4729 - | ^ -Warning: 't747' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:86: + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't484' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:40: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^~~~ -note: 't747' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^~~~ +note: 't484' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: - 2099 | t3869 + t4657 + t4696) - | ^ -Warning: 't753' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:92: + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't485' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:46: - 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & - | ^~~~ -note: 't753' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^~~~ +note: 't485' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: - 2099 | t3869 + t4657 + t4696) - | ^ -Warning: 't754' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:10: + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:52: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^~~~ -note: 't754' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^~~~ +note: 't486' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2110:105: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't764' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:16: + 2110 | t1599)*t2)*sc + | ^ +Warning: 't487' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:58: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^~~~ -note: 't764' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1771:57: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^~~~ +note: 't487' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - 1771 | *t102*t3363 - 0.20e1_dp*t102*t3379 - | ^ -Warning: 't766' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:28: + 2120 | + t842 - t1609 + | ^ +Warning: 't488' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:64: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^~~~ -note: 't766' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^~~~ +note: 't488' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2110:105: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't769' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:34: + 2110 | t1599)*t2)*sc + | ^ +Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:70: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^~~~ -note: 't769' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^~~~ +note: 't489' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - 1858 | *t321*t953*t1625 - | ^ -Warning: 't772' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:40: + 2120 | + t842 - t1609 + | ^ +Warning: 't490' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:81: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^~~~ -note: 't772' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xalpha.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^~~~ +note: 't490' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - 1832 | *t3339 - | ^ -Warning: 't773' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:46: + 2120 | + t842 - t1609 + | ^ +Warning: 't491' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:87: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^~~~ -note: 't773' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1899:32: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^~~~ +note: 't491' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2186:60: - 1899 | t3925 = t777*t561 - | ^ -Warning: 't777' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:58: + 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ +Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:93: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^~~~ -note: 't777' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32: + 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + | ^~~~ +note: 't492' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2036:32: - 1765 | t12*t1058 + 2036 | t1374 = t493*t874 | ^ -Warning: 't782' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:69: +Warning: 't493' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:10: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^~~~ -note: 't782' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^~~~ +note: 't493' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 - | ^ -Warning: 't786' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:81: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't496' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:22: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^~~~ -note: 't786' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2108:42: + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^~~~ +note: 't496' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 2108 | t4721 = 0.1e1_dp/t787*t2480 - | ^ -Warning: 't787' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:87: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't497' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:28: - 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & - | ^~~~ -note: 't787' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32: + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^~~~ +note: 't497' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 1765 | t12*t1058 - | ^ -Warning: 't797' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:34: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't503' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:38: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^~~~ -note: 't797' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^~~~ +note: 't503' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't800' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:44: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't504' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:44: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^~~~ -note: 't800' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: +note: 't504' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2042:32: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't801' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:50: + 2042 | t1391 = t505*t217 + | ^ +Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:50: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^~~~ -note: 't801' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: +note: 't505' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2045:63: - 2099 | t3869 + t4657 + t4696) - | ^ -Warning: 't804' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:56: + 2045 | *t508*t874 - 0.9531842928e0_dp*t214*t887 + | ^ +Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:56: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 | ^~~~ -note: 't804' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: - - 1784 | t165*t171*t3449 - | ^ -Warning: 't815' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:62: - - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^~~~ -note: 't815' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: +note: 't508' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 1911 | *t400*t1333*t1410 - | ^ -Warning: 't822' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:68: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:67: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^~~~ -note: 't822' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: + 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 + | ^~~~ +note: 't513' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 1784 | t165*t171*t3449 - | ^ -Warning: 't827' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:80: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't516' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:24: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^~~~ -note: 't827' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^~~~ +note: 't516' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 2062 | *t3507 - t3512)*t149*t160 - | ^ -Warning: 't833' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:91: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't517' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:30: - 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & - | ^~~~ -note: 't833' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1788:56: + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^~~~ +note: 't517' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 1788 | t3497 = 0.2400000000e2_dp*t473*t852*t1483 - | ^ -Warning: 't852' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:26: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't520' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:36: - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^~~~ -note: 't852' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29: + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^~~~ +note: 't520' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 1976 | *t3382 - | ^ -Warning: 't859' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:44: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't521' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:42: - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^~~~ -note: 't859' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^~~~ +note: 't521' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't863' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:61: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't522' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:48: - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^~~~ -note: 't863' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^~~~ +note: 't522' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 - | ^ -Warning: 't864' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:67: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:60: - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^~~~ -note: 't864' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1815:56: + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^~~~ +note: 't529' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 1815 | - 0.5000000001e0_dp*t60*t865*t709 - | ^ -Warning: 't865' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:73: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:66: - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^~~~ -note: 't865' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^~~~ +note: 't530' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 1955 | *t58*t3796*t71 - | ^ -Warning: 't866' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:79: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't534' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:78: - 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & - | ^~~~ -note: 't866' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: + 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + | ^~~~ +note: 't534' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2061:30: - 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 - | ^ -Warning: 't874' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:10: + 2061 | t1516 = t540**2 + | ^ +Warning: 't540' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:10: - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^~~~ -note: 't874' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: +note: 't540' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 - | ^ -Warning: 't878' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:22: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't543' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:22: - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^~~~ -note: 't878' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: +note: 't543' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 - | ^ -Warning: 't882' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:39: + 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 + | ^ +Warning: 't544' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:28: - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^~~~ -note: 't882' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1815:56: + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^~~~ +note: 't544' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2064:43: - 1815 | - 0.5000000001e0_dp*t60*t865*t709 - | ^ -Warning: 't886' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:45: + 2064 | t1524 = t865/t545/t230*t1522 + | ^ +Warning: 't545' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:34: - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^~~~ -note: 't886' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^~~~ +note: 't545' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2060:32: - 2099 | t3869 + t4657 + t4696) - | ^ -Warning: 't893' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:57: + 2060 | t1510 = t874*t547 + | ^ +Warning: 't547' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:40: - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^~~~ +note: 't547' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2052:47: + + 2052 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't552' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:57: + + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & | ^~~~ -note: 't893' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: +note: 't552' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2052:47: - 2080 | *t289*t294*t1553 - | ^ -Warning: 't897' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:69: + 2052 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't553' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:63: - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^~~~ -note: 't897' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^~~~ +note: 't553' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2052:47: - 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 - | ^ -Warning: 't906' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:85: + 2052 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't560' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:74: - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^~~~ -note: 't906' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^~~~ +note: 't560' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 - | ^ -Warning: 't907' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:91: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't564' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:80: - 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & - | ^~~~ -note: 't907' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^~~~ +note: 't564' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - 2088 | *t83*t45*t3581*t140 - | ^ -Warning: 't914' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:10: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't565' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:86: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^~~~ -note: 't914' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^~~~ +note: 't565' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 - | ^ -Warning: 't918' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:16: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't567' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:92: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^~~~ -note: 't918' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: + 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & + | ^~~~ +note: 't567' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - 1894 | *t165*t3865*t237 - | ^ -Warning: 't922' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:27: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't568' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:10: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^~~~ -note: 't922' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^~~~ +note: 't568' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't929' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:45: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't569' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:16: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^~~~ -note: 't929' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^~~~ +note: 't569' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - 1866 | *t339*t969 - | ^ -Warning: 't930' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:56: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't573' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:27: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^~~~ -note: 't930' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1844:31: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^~~~ +note: 't573' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - 1844 | t3682 = t24*t940 - | ^ -Warning: 't940' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:67: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't574' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:33: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^~~~ -note: 't940' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^~~~ +note: 't574' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - 1858 | *t321*t953*t1625 - | ^ -Warning: 't941' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:73: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't577' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:39: - 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 - | ^~~~ -note: 't941' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^~~~ +note: 't577' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't946' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:36: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't582' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:45: - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^~~~ -note: 't946' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^~~~ +note: 't582' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - 1866 | *t339*t969 - | ^ -Warning: 't949' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:42: + 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 + | ^ +Warning: 't583' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:51: - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^~~~ -note: 't949' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^~~~ +note: 't583' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2169:32: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:579:28: + 2169 | t1776 = t317*t591 + | ^ +Warning: 't591' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:57: - 579 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & - | ^~~~ -note: 't100' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^~~~ +note: 't591' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1861:35: - 1866 | *t339*t969 - | ^ -Warning: 't950' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + 1861 | t851 = 0.3e1_dp*t592 + | ^ +Warning: 't592' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:63: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:53: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^~~~ +note: 't592' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^~~~ -note: 't950' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:579:34: + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't593' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:69: - 579 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & - | ^~~~ -note: 't101' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^~~~ +note: 't593' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2110:105: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + 2110 | t1599)*t2)*sc | ^ -Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:579:40: +Warning: 't594' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:75: - 579 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & - | ^~~~ -note: 't102' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2430:56: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^~~~ +note: 't594' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: - 2430 | t5593 = 0.1066666667e2_dp*t321*t953*t5087 - | ^ -Warning: 't953' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:664:22: + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't595' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:81: - 664 | t108 = t4*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:581:40: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^~~~ +note: 't595' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: - 581 | t161, t164, t165, t166, t169, t17, t170, t172, t173, t19, t199, t2, t20, t202, t207, & - | ^~~ -note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:59: + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't596' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:87: - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^~~~ -note: 't953' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:705:21: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^~~~ +note: 't596' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: - 705 | *t166 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't597' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:93: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't955' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:581:63: + 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & + | ^~~~ +note: 't597' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2158:80: - 581 | t161, t164, t165, t166, t169, t17, t170, t172, t173, t19, t199, t2, t20, t202, t207, & - | ^~~ -note: 't19' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + 2158 | + 0.2e1_dp*t1580 - 0.40e1_dp*t1582 + 0.80e1_dp*t1671*t257 + | ^ +Warning: 't598' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:10: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^~~~ +note: 't598' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2110:105: + + 2110 | t1599)*t2)*sc | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:71: +Warning: 't599' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:16: - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^~~~ -note: 't955' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:582:22: + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^~~~ +note: 't599' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: - 582 | t208, t209, t21, t217, t218, t22, t220, t227, t229, t23, t234, t246, t249, t252, t255, & - | ^~~ -note: 't21' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't600' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:31: - 1832 | *t3339 - | ^ -Warning: 't959' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:669:22: + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^~~~ +note: 't600' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2123:42: - 669 | t118 = t26**2 - | ^ -Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:83: + 2123 | t1615 = 0.80e1_dp*t732*t601 + | ^ +Warning: 't601' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:37: - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^~~~ -note: 't959' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:16: + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^~~~ +note: 't601' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: - 583 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & - | ^~~ -note: 't26' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't602' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:43: - 1866 | *t339*t969 - | ^ -Warning: 't962' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:707:22: + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^~~~ +note: 't602' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: - 707 | t207 = t28**2 - | ^ -Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:62: + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't603' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:49: - 583 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & - | ^~~ -note: 't28' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:89: + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^~~~ +note: 't603' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2158:80: - 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & - | ^~~~ -note: 't962' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: + 2158 | + 0.2e1_dp*t1580 - 0.40e1_dp*t1582 + 0.80e1_dp*t1671*t257 + | ^ +Warning: 't604' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:55: - 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ -Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^~~~ +note: 't604' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2110:105: - 1832 | *t3339 - | ^ -Warning: 't963' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:10: + 2110 | t1599)*t2)*sc + | ^ +Warning: 't605' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:61: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^~~~ -note: 't963' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:84: + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^~~~ +note: 't605' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: - 583 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & - | ^~ -note: 't3' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:747:46: + 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 + | ^ +Warning: 't606' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:67: - 747 | /0.2e1_dp))*sx - | ^ -Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:584:32: + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^~~~ +note: 't606' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1965:32: - 584 | t308, t32, t320, t33, t34, t340, t341, t342, t344, t346, t349, t35, t350, t353, t354, & - | ^~~ -note: 't34' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 1965 | t1151 = t607*t874 + | ^ +Warning: 't607' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:73: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't966' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:685:26: + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^~~~ +note: 't607' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - 685 | t157 = t3*t44*t35 - | ^ -Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:584:73: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't610' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:90: - 584 | t308, t32, t320, t33, t34, t340, t341, t342, t344, t346, t349, t35, t350, t353, t354, & - | ^~~ -note: 't35' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:16: + 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & + | ^~~~ +note: 't610' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^~~~ -note: 't966' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:753:23: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't611' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:10: - 753 | t349 = t36*t47 - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^~~~ +note: 't611' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - 1866 | *t339*t969 - | ^ -Warning: 't969' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:585:22: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't617' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:16: - 585 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 - | ^~~ -note: 't36' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:688:32: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^~~~ +note: 't617' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - 688 | t164 = 0.1e1_dp/t55/t37 - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:22: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't618' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:22: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & | ^~~~ -note: 't969' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:585:57: +note: 't618' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1971:32: - 585 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 - | ^~~ -note: 't37' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 1971 | t1168 = t619*t269 + | ^ +Warning: 't619' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:28: - 1866 | *t339*t969 - | ^ -Warning: 't973' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^~~~ +note: 't619' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1974:63: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:39: + 1974 | *t622*t874 - 0.9531842928e0_dp*t266*t887 + | ^ +Warning: 't622' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:34: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^~~~ -note: 't973' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:585:68: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^~~~ +note: 't622' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - 585 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 - | ^~~ -note: 't38' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:721:22: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't627' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:40: - 721 | t246 = t4*t38 - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^~~~ +note: 't627' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - 1858 | *t321*t953*t1625 - | ^ -Warning: 't974' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:586:41: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't630' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:46: - 586 | REAL(KIND=dp) :: t381, t387, t39, t4, t401, t42, t422, t43, t434, t435, t436, t44, t448, & - | ^~ -note: 't4' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:45: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^~~~ +note: 't630' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^~~~ -note: 't974' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:736:58: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't631' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:52: - 736 | *t267 - 0.80e2_dp/0.729e3_dp*t84*t157*t271 - | ^ -Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:586:85: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^~~~ +note: 't631' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - 586 | REAL(KIND=dp) :: t381, t387, t39, t4, t401, t42, t422, t43, t434, t435, t436, t44, t448, & - | ^~~ -note: 't44' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't634' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:58: - 1866 | *t339*t969 - | ^ -Warning: 't976' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:57: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^~~~ +note: 't634' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^~~~ -note: 't976' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:755:23: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't635' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:64: - 755 | t353 = t45*t56 - | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:10: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^~~~ +note: 't635' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^~~ -note: 't45' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:675:25: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't636' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:70: - 675 | t134 = t47*gamma - | ^ -Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^~~~ +note: 't636' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 - | ^ -Warning: 't980' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:74: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't643' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:87: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^~~~ -note: 't980' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:21: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^~~~ +note: 't643' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^~~ -note: 't47' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:748:22: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't644' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:93: - 748 | t340 = t5*t38 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: + 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & + | ^~~~ +note: 't644' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - 1832 | *t3339 - | ^ -Warning: 't984' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:37: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't648' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:16: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^~ -note: 't5' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:687:22: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^~~~ +note: 't648' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1982:30: - 687 | t161 = t3*t53 - | ^ -Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:86: + 1982 | t1244 = t654**2 + | ^ +Warning: 't654' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:33: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^~~~ -note: 't984' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:51: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^~~~ +note: 't654' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^~~ -note: 't53' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:757:23: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't657' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:45: - 757 | t357 = t54*t66 - | ^ -Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^~~~ +note: 't657' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't987' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:92: + 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 + | ^ +Warning: 't658' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:51: - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^~~~ -note: 't987' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:56: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^~~~ +note: 't658' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1985:43: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^~~ -note: 't54' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:688:32: + 1985 | t1252 = t865/t659/t282*t1250 + | ^ +Warning: 't659' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:57: - 688 | t164 = 0.1e1_dp/t55/t37 + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^~~~ +note: 't659' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1981:32: + + 1981 | t1238 = t874*t661 | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: +Warning: 't661' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:63: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't991' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:61: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^~~~ +note: 't661' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1992:47: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^~~ -note: 't55' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:15: + 1992 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't666' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:75: - 401 | t99, t991, t995, t997, xx - | ^~~~ -note: 't991' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:678:25: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^~~~ +note: 't666' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1992:47: - 678 | t142 = t56*gamma - | ^ -Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:66: + 1992 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't667' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:81: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^~~ -note: 't56' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:759:24: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^~~~ +note: 't667' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1992:47: - 759 | t361 = t64*t164 - | ^ -Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2389:54: + 1992 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't674' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:87: - 2389 | t5487 = 0.2160000000e3_dp*t7*t995*t1652 - | ^ -Warning: 't995' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:21: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^~~~ +note: 't674' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: - 401 | t99, t991, t995, t997, xx - | ^~~~ -note: 't995' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:91: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't678' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:93: - 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & - | ^~~ -note: 't64' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:683:25: + 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & + | ^~~~ +note: 't678' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: - 683 | t152 = t66*gamma - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:10: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't679' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:10: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^~~ -note: 't66' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^~~~ +note: 't679' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: - 1842 | + 0.3200000000e2_dp*t1055*t3674 - | ^ -Warning: 't997' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:27: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't681' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:21: - 401 | t99, t991, t995, t997, xx + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^~~~ +note: 't681' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: + + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't682' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:27: + + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 | ^~~~ -note: 't997' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:722:24: +note: 't682' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: - 722 | t249 = t120*t70 - | ^ -Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:20: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't683' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:33: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^~~ -note: 't70' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^~~~ +note: 't683' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: - 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ -Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:25: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't687' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:39: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^~~ -note: 't71' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^~~~ +note: 't687' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: - 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:55: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't688' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:45: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^~~ -note: 't87' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:783:24: + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^~~~ +note: 't688' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: - 783 | t436 = t435*t88 - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:60: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't691' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:51: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^~~ -note: 't88' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:690:23: + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^~~~ +note: 't691' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: - 690 | t166 = t165*t9 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:70: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't696' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:57: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^~ -note: 't9' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^~~~ +note: 't696' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:74: + 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 + | ^ +Warning: 't697' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:63: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^~~ -note: 't91' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: + 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 + | ^~~~ +note: 't697' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2150:32: - 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ -Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:79: + 2150 | t1696 = t316*t704 + | ^ +Warning: 't704' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:24: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^~~ -note: 't92' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:710:27: + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^~~~ +note: 't704' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1862:35: - 710 | t217 = t21*t91*t93 - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:84: + 1862 | t857 = 0.3e1_dp*t705 + | ^ +Warning: 't705' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:30: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^~~ -note: 't93' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^~~~ +note: 't705' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2194:33: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:89: + 2194 | *t725*t371 + | ^ +Warning: 't716' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:60: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^~~ -note: 't94' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^~~~ +note: 't716' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2194:33: - 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:94: + 2194 | *t725*t371 + | ^ +Warning: 't719' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:66: - 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & - | ^~~ -note: 't95' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^~~~ +note: 't719' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2194:33: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:589:10: + 2194 | *t725*t371 + | ^ +Warning: 't722' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:72: - 589 | t96, t97, yval - | ^~~ -note: 't96' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^~~~ +note: 't722' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2194:33: - 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx - | ^ -Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:589:15: + 2194 | *t725*t371 + | ^ +Warning: 't725' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:78: - 589 | t96, t97, yval - | ^~~ -note: 't97' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbeef.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_tb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_se.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_se.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_ana.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F semi_empirical_int_ana.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/input_cp2k_tmc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' input_cp2k_tmc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_fxc_kernel.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_fxc_kernel.F xc_fxc_kernel.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_subsys.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_subsys.F90 -/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1684:31: + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^~~~ +note: 't725' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2141:32: - 1684 | t101 = beta*t100 - | ^ -Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1504:21: + 2141 | t1671 = t728*t142 + | ^ +Warning: 't728' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:84: - 1504 | Arhobrhob, beta, beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, beta_2_3, beta_3_1, & + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^~~~ +note: 't728' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2168:41: + + 2168 | t1775 = 0.2e1_dp*t729*t305 + | ^ +Warning: 't729' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:90: + + 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & + | ^~~~ +note: 't729' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2139:42: + + 2139 | t1666 = 0.80e1_dp*t730*t254 + | ^ +Warning: 't730' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:15: + + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^~~~ +note: 't730' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2264:80: + + 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 + | ^ +Warning: 't732' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:21: + + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & | ^~~~ -note: 'beta' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1727:51: +note: 't732' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2124:42: - 1727 | Fx_b = 0.1e1_dp + kappa - kappa/t153 - | ^ -Warning: 'kappa' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1515:38: + 2124 | t1620 = 0.80e1_dp*t733*t254 + | ^ +Warning: 't733' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:27: - 1515 | k_s1rhob, k_srhoa, k_srhob, kappa, kf_a, kf_arhoa, kf_arhoarhoa, kf_b, kf_brhob, & - | ^~~~~ -note: 'kappa' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1726:45: + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^~~~ +note: 't733' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2228:29: - 1726 | t153 = 0.1e1_dp + mu*t150*t135 - | ^ -Warning: 'mu' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1516:24: + 2228 | *t1094 + | ^ +Warning: 't735' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:33: - 1516 | kf_brhobrhob, mu - | ^~ -note: 'mu' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1184:69: + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^~~~ +note: 't735' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2165:41: - 1184 | t117*t118*t172 + 0.3333333334e0_dp*t36*t38*t196 - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1035:71: + 2165 | t1764 = 0.2e1_dp*t741*t202 + | ^ +Warning: 't741' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:44: - 1035 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & - | ^~ -note: 't1' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1172:67: + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^~~~ +note: 't741' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2174:36: - 1172 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1035:75: + 2174 | t1782 = 0.2e1_dp*t742 + | ^ +Warning: 't742' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:50: - 1035 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & - | ^~~ -note: 't10' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1174:59: + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^~~~ +note: 't742' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1174 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:68: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't743' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:56: - 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^~~ -note: 't11' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1172:67: + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^~~~ +note: 't743' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2164:41: - 1172 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1037:77: + 2164 | t1754 = 0.2e1_dp*t744*t254 + | ^ +Warning: 't744' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:62: - 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^~~ -note: 't12' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1121:27: + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^~~~ +note: 't744' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2115:36: - 1121 | t75 = t16**2 - | ^ -Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:42: + 2115 | t1605 = 0.2e1_dp*t745 + | ^ +Warning: 't745' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:68: - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^~~ -note: 't16' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1120:28: + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^~~~ +note: 't745' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2114:37: - 1120 | t72 = t71*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:59: + 2114 | t1604 = 0.80e1_dp*t746 + | ^ +Warning: 't746' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:74: - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^~~ -note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1174:59: + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^~~~ +note: 't746' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2116:37: - 1174 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 - | ^ -Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:88: + 2116 | t1606 = 0.80e1_dp*t748 + | ^ +Warning: 't748' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:80: - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^~~ -note: 't18' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1344:29: + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^~~~ +note: 't748' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2223:58: - 1344 | t576 = t2*t501 - | ^ -Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:28: + 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 + | ^ +Warning: 't750' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:91: - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^~ -note: 't2' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1148:28: + 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & + | ^~~~ +note: 't750' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2167:49: - 1148 | t126 = t21**2 - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:44: + 2167 | t1768 = 0.2400e2_dp*t750*t253*t751 + | ^ +Warning: 't751' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:10: - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^~~ -note: 't21' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1117:34: + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^~~~ +note: 't751' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2233:29: - 1117 | t68 = rho*t22*omega - | ^ -Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:30: + 2233 | *t1776 + | ^ +Warning: 't752' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:16: - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^~~ -note: 't22' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1116:30: + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^~~~ +note: 't752' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2112:39: - 1116 | t64 = t23*omega - | ^ -Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:59: + 2112 | t1602 = 0.2400e2_dp*t753 + | ^ +Warning: 't753' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:22: - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^~~ -note: 't23' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1170:84: + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^~~~ +note: 't753' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2209:64: - 1170 | 0.2222222224e0_dp*t24*t98*t155)*sx - | ^ -Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:94: + 2209 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 + | ^ +Warning: 't755' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:28: - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^~~ -note: 't24' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1139:30: + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^~~~ +note: 't755' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2159:52: - 1139 | t105 = t28*t104 - | ^ -Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:10: + 2159 | t1730 = 0.160e2_dp*t755*t756*t252*t91 + | ^ +Warning: 't756' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:34: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^~~ -note: 't28' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1144:31: + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^~~~ +note: 't756' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2209:64: - 1144 | t116 = omega*t29 - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:39: + 2209 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 + | ^ +Warning: 't757' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:40: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^~~ -note: 't29' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1172:67: + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^~~~ +note: 't757' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2223:58: - 1172 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 - | ^ -Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:56: + 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 + | ^ +Warning: 't758' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:46: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^~ -note: 't3' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1142:26: + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^~~~ +note: 't758' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2117:38: - 1142 | t109 - | ^ -Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:60: + 2117 | t1609 = 0.160e2_dp*t759 + | ^ +Warning: 't759' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:52: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^~~ -note: 't30' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1142:26: + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^~~~ +note: 't759' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1142 | t109 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:71: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't762' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:58: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^~~ -note: 't31' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1167:26: + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^~~~ +note: 't762' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1167 | t151 - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:16: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't764' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:70: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^~~ -note: 't36' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1152:28: + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^~~~ +note: 't764' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2113:36: - 1152 | t132 = pi*t37 - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:33: + 2113 | t1603 = 0.2e1_dp*t766 + | ^ +Warning: 't766' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:76: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^~~ -note: 't37' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1167:26: + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^~~~ +note: 't766' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2121:37: - 1167 | t151 - | ^ -Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:50: + 2121 | t1611 = 0.80e1_dp*t767 + | ^ +Warning: 't767' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:82: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^~~ -note: 't38' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_lyp.mod' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1180:30: + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^~~~ +note: 't767' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2177:37: - 1180 | t190 = t39*t172 - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:73: + 2177 | t1786 = 0.80e1_dp*t769 + | ^ +Warning: 't769' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:88: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^~~ -note: 't39' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1150:30: + 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & + | ^~~~ +note: 't769' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2173:64: - 1150 | t128 = t40*t127 - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:90: + 2173 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 + | ^ +Warning: 't771' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:10: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^~~ -note: 't40' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1182:59: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^~~~ +note: 't771' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2223:58: - 1182 | *t52 - 0.5000000001e0_dp*t41*t172*t46 - | ^ -Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:40: + 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 + | ^ +Warning: 't772' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:16: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^~~ -note: 't41' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1153:30: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^~~~ +note: 't772' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2223:58: - 1153 | t133 = t42*t132 - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:69: + 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 + | ^ +Warning: 't773' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:22: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^~~ -note: 't42' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1151:34: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^~~~ +note: 't773' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2176:39: - 1151 | t130 = t128*t43*t94 - | ^ -Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:86: + 2176 | t1785 = 0.2400e2_dp*t774 + | ^ +Warning: 't774' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:28: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^~~ -note: 't43' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1137:49: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^~~~ +note: 't774' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2233:29: - 1137 | t103 = EXP(-0.9000000000e1_dp*t44) - | ^ -Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:10: + 2233 | *t1776 + | ^ +Warning: 't777' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:34: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^~~ -note: 't44' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1182:59: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^~~~ +note: 't777' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2233:29: - 1182 | *t52 - 0.5000000001e0_dp*t41*t172*t46 - | ^ -Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:39: + 2233 | *t1776 + | ^ +Warning: 't778' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:40: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^~~ -note: 't46' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1164:58: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^~~~ +note: 't778' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2233:29: - 1164 | *t143 - 0.5555555558e-1_dp*t146*t148 - | ^ -Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:36: + 2233 | *t1776 + | ^ +Warning: 't779' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:46: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^~~ -note: 't47' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1161:30: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^~~~ +note: 't779' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2175:38: - 1161 | t147 = t49*t135 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:88: + 2175 | t1783 = 0.160e2_dp*t780 + | ^ +Warning: 't780' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:52: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^~~ -note: 't49' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1125:31: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^~~~ +note: 't780' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1125 | t84 = 1 + t5*t10 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:16: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't782' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:58: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^~ -note: 't5' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1159:34: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^~~~ +note: 't782' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2197:32: - 1159 | t143 = t48*t141*t51 - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:44: + 2197 | t1836 = t732*t783 + | ^ +Warning: 't783' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:64: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^~~ -note: 't51' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1182:59: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^~~~ +note: 't783' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1182 | *t52 - 0.5000000001e0_dp*t41*t172*t46 - | ^ -Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:67: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't784' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:70: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^~~ -note: 't52' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1167:26: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^~~~ +note: 't784' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2241:32: - 1167 | t151 - | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:46: + 2241 | t1979 = t789*t309 + | ^ +Warning: 't789' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:82: - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^~~ -note: 't55' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1492:76: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^~~~ +note: 't789' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2264:80: - 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1052:28: + 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 + | ^ +Warning: 't793' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:88: - 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^~~ -note: 't59' was declared here -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1131:65: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^~~~ +note: 't793' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2246:34: - 1131 | t94 = -0.5333333333e1_dp*t6*t72 - 0.20e1_dp*t6*t91 - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1052:39: + 2246 | *t136*t1986 + | ^ +Warning: 't796' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:94: - 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^~ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1175:30: + 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & + | ^~~~ +note: 't796' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2246:34: - 1175 | t173 = t60*t172 - | ^ -Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1052:43: + 2246 | *t136*t1986 + | ^ +Warning: 't799' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:10: - 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^~~ -note: 't60' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1124:35: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^~~~ +note: 't799' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2204:32: - 1124 | t79 = 0.1e1_dp/t1/t7 - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1053:67: + 2204 | t1858 = t802*t142 + | ^ +Warning: 't802' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:25: - 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^~ -note: 't7' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1179:29: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^~~~ +note: 't802' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2215:32: - 1179 | t186 = t8*t172 - | ^ -Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1054:60: + 2215 | t1893 = t803*t305 + | ^ +Warning: 't803' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:31: - 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^~ -note: 't8' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1353:35: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^~~~ +note: 't803' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2210:32: - 1353 | *t36*t38*t586 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:23: + 2210 | t1870 = t804*t254 + | ^ +Warning: 't804' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:37: - 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^~~~ -note: 't103' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1226:36: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^~~~ +note: 't804' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2202:32: - 1226 | t289 = omega*t104*t27 - | ^ -Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:29: + 2202 | t1850 = t806*t254 + | ^ +Warning: 't806' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:43: - 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^~~~ -note: 't104' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1353:35: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^~~~ +note: 't806' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2214:32: - 1353 | *t36*t38*t586 - | ^ -Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:42: + 2214 | t1891 = t808*t254 + | ^ +Warning: 't808' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:49: - 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^~~~ -note: 't105' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1282:66: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^~~~ +note: 't808' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2198:32: - 1282 | *t31*t404 - 0.5000000000e0_dp*t105*t109*t172 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:55: + 2198 | t1838 = t811*t202 + | ^ +Warning: 't811' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:55: - 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^~~~ -note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1255:68: +note: 't811' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1255 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 - | ^ -Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:80: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't812' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:61: - 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^~~~ -note: 't112' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1311:70: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^~~~ +note: 't812' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 - | ^ -Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:86: + 2120 | + t842 - t1609 + | ^ +Warning: 't813' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:67: - 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & - | ^~~~ -note: 't113' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1551:32: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^~~~ +note: 't813' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2196:32: - 1551 | t98*t1400 + 2196 | t1832 = t814*t254 | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1037:38: +Warning: 't814' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:73: - 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^~~~ -note: 't116' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1311:70: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^~~~ +note: 't814' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1037:58: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't815' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:79: - 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^~~~ -note: 't117' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1255:68: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^~~~ +note: 't815' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1255 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1037:71: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't816' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:85: - 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^~~~ -note: 't118' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1311:70: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^~~~ +note: 't816' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: - 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 - | ^ -Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1037:82: + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't817' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:91: - 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & - | ^~~~ -note: 't122' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1340:29: + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & + | ^~~~ +note: 't817' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - 1340 | t572 = t126**2 - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_debug.F90 -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:10: + 2120 | + t842 - t1609 + | ^ +Warning: 't818' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:10: - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^~~~ -note: 't126' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1297:30: +note: 't818' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1297 | t473 = t94*t127 - | ^ -Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:16: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't819' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:16: - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^~~~ -note: 't127' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1289:36: +note: 't819' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: - 1289 | t460 = t128*t132*t172 - | ^ -Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:22: + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't820' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:22: - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^~~~ -note: 't128' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1217:69: +note: 't820' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1217 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 - | ^ -Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:35: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't821' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:28: - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^~~~ -note: 't130' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1289:36: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^~~~ +note: 't821' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: - 1289 | t460 = t128*t132*t172 - | ^ -Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:41: + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't822' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:34: - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^~~~ -note: 't132' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1217:69: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^~~~ +note: 't822' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - 1217 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:47: + 2120 | + t842 - t1609 + | ^ +Warning: 't823' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:40: - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^~~~ -note: 't133' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1302:30: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^~~~ +note: 't823' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1302 | t489 = t41*t135 - | ^ -Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:74: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't824' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:46: - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^~~~ -note: 't135' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1468:68: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^~~~ +note: 't824' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:80: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't825' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:52: - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^~~~ -note: 't136' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1250:63: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^~~~ +note: 't825' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2186:60: - 1250 | *t146*t347 - 0.5555555558e-1_dp*t146*t351 - | ^ -Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:86: + 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ +Warning: 't826' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:58: - 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & - | ^~~~ -note: 't137' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^~~~ +note: 't826' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1039:17: + 2120 | + t842 - t1609 + | ^ +Warning: 't827' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:64: - 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & - | ^~~~ -note: 't140' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1243:35: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^~~~ +note: 't827' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2264:80: - 1243 | t343 = t141*t135*t46 - | ^ -Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1039:44: + 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 + | ^ +Warning: 't828' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:70: - 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & - | ^~~~ -note: 't141' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1306:82: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^~~~ +note: 't828' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1306 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 - | ^ -Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1039:57: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't829' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:76: - 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & - | ^~~~ -note: 't143' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1250:63: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^~~~ +note: 't829' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2186:60: - 1250 | *t146*t347 - 0.5555555558e-1_dp*t146*t351 - | ^ -Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1039:77: + 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ +Warning: 't830' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:82: - 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & - | ^~~~ -note: 't146' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^~~~ +note: 't830' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - 1475 | t41*t328*t466 - | ^ -Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1039:90: + 2120 | + t842 - t1609 + | ^ +Warning: 't831' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:88: - 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & - | ^~~~ -note: 't147' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1306:82: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^~~~ +note: 't831' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2264:80: - 1306 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 - | ^ -Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:17: + 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 + | ^ +Warning: 't832' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:94: - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^~~~ -note: 't148' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1255:68: + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & + | ^~~~ +note: 't832' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1255 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 - | ^ -Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:23: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't833' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1290:10: - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^~~~ -note: 't151' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1191:30: + 1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 + | ^~~~ +note: 't833' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2186:60: - 1191 | t207 = t27*t155 - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:29: + 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 + | ^ +Warning: 't834' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1290:16: - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^~~~ -note: 't155' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1322:29: + 1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 + | ^~~~ +note: 't834' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/input_cp2k_tmc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' input_cp2k_tmc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_se.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_se.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_tb.F90 +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: - 1322 | t513 = t168**2 - | ^ -Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:47: + 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:28: - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^~~~ -note: 't168' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1329:41: + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^~~~ +note: 't102' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1043:53: - 1329 | - 0.20e1_dp*t6*t526 - | ^ -Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:53: + 1043 | t487 = t459*t160 + t472*t103 - t86*t211*t484 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:34: - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^~~~ -note: 't169' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1353:35: + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^~~~ +note: 't103' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: - 1353 | *t36*t38*t586 - | ^ -Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:64: + 1049 | /0.2e1_dp))*sx + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:46: - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^~~~ -note: 't172' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1316:79: + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^~~~ +note: 't106' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: - 1316 | *t24*t98*t496)*sx - | ^ -Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:70: + 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:52: - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^~~~ -note: 't173' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1353:35: + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^~~~ +note: 't107' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:970:29: - 1353 | *t36*t38*t586 - | ^ -Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:82: + 970 | t255 = t21*t106*t108 + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:58: - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^~~~ -note: 't177' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1348:64: + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^~~~ +note: 't108' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:969:25: - 1348 | *t580*t52 - 0.5000000001e0_dp*t41*t529*t46 - | ^ -Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:93: + 969 | t249 = t109*t102 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:64: - 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & - | ^~~~ -note: 't185' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1311:70: + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^~~~ +note: 't109' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: - 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 - | ^ -Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_ana.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_ana.F90 -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:10: + 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:70: - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^~~~ -note: 't186' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1306:82: + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^~~~ +note: 't110' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: - 1306 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 - | ^ -Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:16: + 1049 | /0.2e1_dp))*sx + | ^ +Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:76: - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^~~~ -note: 't190' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1311:70: + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^~~~ +note: 't111' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: - 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 - | ^ -Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:22: + 1049 | /0.2e1_dp))*sx + | ^ +Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:82: - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^~~~ -note: 't196' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1261:30: + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^~~~ +note: 't112' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: - 1261 | t365 = t27*t200 - | ^ -Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:32: + 1049 | /0.2e1_dp))*sx + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:88: - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^~~~ -note: 't200' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1316:79: + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^~~~ +note: 't115' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1049:72: - 1316 | *t24*t98*t496)*sx - | ^ -Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1053:10: + 1049 | /0.2e1_dp))*sx + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:94: - 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^~~ -note: 't64' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1259:104: + 823 | REAL(KIND=dp) :: t1, t102, t103, t104, t106, t107, t108, t109, t110, t111, t112, t115, t117, & + | ^~~~ +note: 't117' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:929:53: - 1259 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx - | ^ -Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1053:51: + 929 | t42*t23*t124*t16 - t154*t131/0.8e1_dp + | ^ +Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:824:76: - 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^~~ -note: 't68' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1210:47: + 824 | t124, t131, t134, t137, t138, t142, t143, t154, t157, t158, t159, t16, t160, t162, t165, & + | ^~~ +note: 't16' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:933:22: - 1210 | t251 = 0.1e1_dp/t1/t219/t69*t250 - | ^ -Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1053:62: + 933 | t162 = t4*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:825:22: - 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^~~ -note: 't69' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1199:29: + 825 | t167, t168, t17, t176, t180, t181, t184, t185, t188, t19, t190, t191, t195, t196, t199, & + | ^~~ +note: 't17' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:965:21: - 1199 | t225 = t71*t76 - | ^ -Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1053:71: + 965 | *t204 + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:825:63: - 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^~~ -note: 't71' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1274:72: + 825 | t167, t168, t17, t176, t180, t181, t184, t185, t188, t19, t190, t191, t195, t196, t199, & + | ^~~ +note: 't19' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:968:29: - 1274 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 - | ^ -Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1053:82: + 968 | t248 = t21*t106/t245 + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:826:49: - 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & - | ^~~ -note: 't72' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1201:38: + 826 | t2, t20, t202, t203, t204, t207, t208, t21, t210, t211, t22, t23, t237, t24, t240, t245, & + | ^~~ +note: 't21' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1034:32: - 1201 | t230 = 0.1e1_dp/t75/t16 - | ^ -Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1054:22: + 1034 | t42*t43/0.4e1_dp + | ^ +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:827:22: - 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + 827 | t248, t249, t25, t255, t256, t258, t26, t265, t267, t272, t285, t288, t289, t29, t297, & | ^~~ -note: 't75' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1199:29: +note: 't25' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:929:53: - 1199 | t225 = t71*t76 - | ^ -Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1054:27: + 929 | t42*t23*t124*t16 - t154*t131/0.8e1_dp + | ^ +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:827:45: - 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^~~ -note: 't76' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1327:30: + 827 | t248, t249, t25, t255, t256, t258, t26, t265, t267, t272, t285, t288, t289, t29, t297, & + | ^~~ +note: 't26' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: - 1327 | t526 = t77*t525 - | ^ -Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1054:38: + 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:16: - 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^~~ -note: 't77' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1271:55: + 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & + | ^~ +note: 't3' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:921:22: - 1271 | t87 + 0.8000000000e1_dp*t393*t397 - | ^ -Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1054:43: + 921 | t137 = t3*t32 + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:60: - 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^~~ -note: 't79' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1209:38: + 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & + | ^~~ +note: 't32' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:919:40: - 1209 | t250 = 0.1e1_dp/t85/t84 - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1054:70: + 919 | t131 = 0.1e1_dp/t4/t33*gamma*t9 + | ^ +Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:77: - 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^~~ -note: 't84' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1209:38: + 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & + | ^~~ +note: 't33' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1011:23: - 1209 | t250 = 0.1e1_dp/t85/t84 - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1054:87: + 1011 | t387 = t34*t62 + | ^ +Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:88: - 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & - | ^~~ -note: 't85' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1326:66: + 828 | t298, t3, t30, t301, t305, t309, t31, t313, t317, t32, t320, t321, t33, t338, t34, t341, & + | ^~~ +note: 't34' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:948:32: - 1326 | t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250 - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1055:10: + 948 | t202 = 0.1e1_dp/t70/t35 + | ^ +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:829:10: - 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + 829 | t35, t356, t36, t37, t376, t377, t382, t383, t387, t388, t391 | ^~~ -note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1271:55: +note: 't35' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:935:25: - 1271 | t87 + 0.8000000000e1_dp*t393*t397 - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1055:27: + 935 | t167 = t36*gamma + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:829:21: - 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^~~ -note: 't87' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1266:30: + 829 | t35, t356, t36, t37, t376, t377, t382, t383, t387, t388, t391 + | ^~~ +note: 't36' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:985:51: - 1266 | t383 = t230*t90 - | ^ -Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1055:38: + 985 | ndrho/0.9e1_dp + t154*t285/0.4e1_dp + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:48: - 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^~~ -note: 't90' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1274:72: + 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & + | ^~ +note: 't4' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:920:28: - 1274 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 - | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1055:43: + 920 | t134 = 0.1e1_dp/t41 + | ^ +Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:70: - 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^~~ -note: 't91' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1311:70: + 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & + | ^~~ +note: 't41' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:925:23: - 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1055:54: + 925 | t154 = t42*t23 + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:87: - 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^~~ -note: 't94' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1259:104: + 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & + | ^~~ +note: 't42' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1009:31: - 1259 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1055:59: + 1009 | - t42*t43*gamma + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:92: - 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^~~ -note: 't95' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1259:104: + 830 | REAL(KIND=dp) :: t392, t395, t396, t399, t4, t400, t403, t404, t41, t416, t419, t42, t43, & + | ^~~ +note: 't43' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:930:28: - 1259 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx - | ^ -Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1055:70: + 930 | t158 = 0.1e1_dp/t47 + | ^ +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:831:28: - 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 - | ^~~ -note: 't98' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1551:32: + 831 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & + | ^~~ +note: 't47' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:967:22: - 1551 | t98*t1400 - | ^ -Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:38: + 967 | t245 = t49**2 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:831:62: - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^~~~ -note: 't207' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1492:76: + 831 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & + | ^~~ +note: 't49' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1006:22: - 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:49: + 1006 | t376 = t5*t36 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:831:67: - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^~~~ -note: 't211' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1492:76: + 831 | t434, t458, t459, t47, t471, t472, t48, t484, t487, t49, t5, t50, t502, t51, t54, t57, & + | ^~ +note: 't5' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:998:58: - 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:55: + 998 | *t313 - 0.80e2_dp/0.729e3_dp*t99*t195*t317 + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:15: - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^~~~ -note: 't212' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1425:67: + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^~~ +note: 't59' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1034:32: - 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:61: + 1034 | t42*t43/0.4e1_dp + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:20: - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^~~~ -note: 't213' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1425:67: + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^~ +note: 't6' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1013:23: - 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:67: + 1013 | t391 = t60*t71 + | ^ +Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:24: - 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 - | ^~~~ -note: 't216' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1380:63: + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^~~ +note: 't60' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:923:25: - 1380 | /t69*t669) - | ^ -Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:24: + 923 | t142 = t62*gamma + | ^ +Warning: 't62' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:29: - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^~~~ -note: 't219' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1366:30: + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^~~ +note: 't62' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:947:22: - 1366 | t628 = t221*t76 - | ^ -Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:35: + 947 | t199 = t3*t68 + | ^ +Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:49: - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^~~~ -note: 't221' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^~~ +note: 't68' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1015:23: - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:41: + 1015 | t395 = t69*t81 + | ^ +Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:54: - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^~~~ -note: 't222' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^~~ +note: 't69' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:948:32: - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:47: + 948 | t202 = 0.1e1_dp/t70/t35 + | ^ +Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:59: - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^~~~ -note: 't225' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^~~ +note: 't70' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:938:25: - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:53: + 938 | t180 = t71*gamma + | ^ +Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:64: - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^~~~ -note: 't226' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^~~ +note: 't71' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1017:24: - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:64: + 1017 | t399 = t79*t202 + | ^ +Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:89: - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^~~~ -note: 't230' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^~~ +note: 't79' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:943:25: - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't232' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:76: + 943 | t190 = t81*gamma + | ^ +Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:94: - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^~~~ -note: 't232' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: + 832 | t58, t59, t6, t60, t62, t63, t66, t67, t68, t69, t70, t71, t72, t76, t77, t78, t79, t81, & + | ^~~ +note: 't81' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:932:24: - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:82: + 932 | t160 = t85*t103 + | ^ +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:15: - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^~~~ -note: 't233' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: + 833 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval + | ^~~ +note: 't85' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:88: + 980 | *t237/0.2e1_dp - t86*t103*t265*t111/0.2e1_dp))*sx + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:20: - 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & - | ^~~~ -note: 't237' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: + 833 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval + | ^~~ +note: 't86' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:950:23: - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:10: + 950 | t204 = t203*t9 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:30: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^~~~ -note: 't241' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: + 833 | t82, t85, t86, t87, t9, t90, t93, t96, t99, yval + | ^~ +note: 't9' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:594:39: - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't244' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:16: + 594 | t306 = 0.1e1_dp/t10/t224 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:81: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^~~~ -note: 't244' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: + 273 | REAL(KIND=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t1000, t1002, & + | ^~~ +note: 't10' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:635:71: - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:22: + 635 | *t322 + 0.40e1_dp*t102*t329 - 0.20e1_dp*t102*t376 + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:45: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^~~~ -note: 't245' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^~~~ +note: 't102' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:605:39: - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:28: + 605 | t326 = 0.1e1_dp/t103/t35 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:72: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^~~~ -note: 't250' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^~~~ +note: 't103' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:600:30: - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:34: + 600 | t316 = t97*t104 + | ^ +Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:17: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^~~~ -note: 't251' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^~~~ +note: 't104' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:747:31: - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:40: + 747 | t646 = t105*t645 + | ^ +Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:44: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^~~~ -note: 't254' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^~~~ +note: 't105' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1462:31: - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't255' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:46: + 1462 | t2204 = t10*t106 + | ^ +Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:92: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^~~~ -note: 't255' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1492:76: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^~~~ +note: 't106' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: - 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:52: + 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 + | ^ +Warning: 't107' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:45: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^~~~ -note: 't258' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1425:67: + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & + | ^~~~ +note: 't107' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:741:45: - 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't259' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:58: + 741 | t635 = -4*t108 + 4*t332*my_rho + | ^ +Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:72: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^~~~ -note: 't259' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & + | ^~~~ +note: 't108' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:738:30: - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't264' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:69: + 738 | t624 = beta*t11 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:31: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^~~~ -note: 't264' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^~~ +note: 't11' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:750:49: - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:75: + 750 | *t615 - 0.20e1_dp*t102*t646 + | ^ +Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:78: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^~~~ -note: 't265' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1383:36: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^~~~ +note: 't112' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:620:81: - 1383 | t722 = omega*t270*t27 - | ^ -Warning: 't270' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:86: + 620 | t360 = 0.28e2_dp/0.3e1_dp*t122*t114 - 0.28e2_dp/0.3e1_dp*t356*t357 + | ^ +Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:38: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^~~~ -note: 't270' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^~~~ +note: 't114' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1188:50: - 1542 | *t36*t38*t1396 - | ^ -Warning: 't271' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:92: + 1188 | t1636 = 0.5600000000e2_dp*t624*t115 + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:72: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & - | ^~~~ -note: 't271' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^~~~ +note: 't115' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't281' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:15: + 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:92: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^~~~ -note: 't281' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^~~~ +note: 't116' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:631:32: - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't284' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:21: + 631 | *t366*t372 + | ^ +Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:45: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^~~~ -note: 't284' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 + | ^~~~ +note: 't119' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:596:28: - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't285' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:27: + 596 | t308 = t12**2 + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:31: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^~~~ -note: 't285' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^~~ +note: 't12' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:620:81: - 1542 | *t36*t38*t1396 - | ^ -Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:33: + 620 | t360 = 0.28e2_dp/0.3e1_dp*t122*t114 - 0.28e2_dp/0.3e1_dp*t356*t357 + | ^ +Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:85: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^~~~ -note: 't289' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^~~~ +note: 't122' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: - 1542 | *t36*t38*t1396 - | ^ -Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:44: + 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 + | ^ +Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:17: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^~~~ -note: 't293' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^~~~ +note: 't123' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: - 1542 | *t36*t38*t1396 - | ^ -Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:50: + 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 + | ^ +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:65: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^~~~ -note: 't297' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xpbe_hole_t_c_lr.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1483:76: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^~~~ +note: 't126' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:809:44: - 1483 | + t1136) - | ^ -Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:65: + 809 | t796 = 0.1e1_dp/t787/t13*t795 + | ^ +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:31: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^~~~ -note: 't304' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^~~ +note: 't13' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:626:40: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't312' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:82: + 626 | t371 = 0.1e1_dp/t131/t130 + | ^ +Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:36: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^~~~ -note: 't312' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^~~~ +note: 't130' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:626:40: - 1542 | *t36*t38*t1396 - | ^ -Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:88: + 626 | t371 = 0.1e1_dp/t131/t130 + | ^ +Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:70: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^~~~ -note: 't313' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^~~~ +note: 't131' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:94: + 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 + | ^ +Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:83: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & - | ^~~~ -note: 't316' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^~~~ +note: 't132' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't319' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:10: + 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:10: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & | ^~~~ -note: 't319' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: - - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:16: +note: 't133' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:604:31: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^~~~ -note: 't321' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1461:38: + 604 | t322 = t316*t136 + | ^ +Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:44: - 1461 | *t128*t323*t172 - | ^ -Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:22: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^~~~ +note: 't136' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:750:49: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^~~~ -note: 't323' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: + 750 | *t615 - 0.20e1_dp*t102*t646 + | ^ +Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:71: - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:28: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^~~~ +note: 't137' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^~~~ -note: 't325' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: + 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 + | ^ +Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:45: - 1475 | t41*t328*t466 - | ^ -Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:34: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^~~ +note: 't14' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:783:70: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^~~~ -note: 't326' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: + 783 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735 + | ^ +Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:50: - 1475 | t41*t328*t466 - | ^ -Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:40: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^~~~ +note: 't140' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^~~~ -note: 't328' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1404:40: + 714 | t46*t541))*sx + | ^ +Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:84: - 1404 | REAL(t46, KIND=dp) - | ^ -Warning: 't330' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:46: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^~~~ +note: 't141' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^~~~ -note: 't330' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1468:68: + 714 | t46*t541))*sx + | ^ +Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:80: - 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't335' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:52: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^~~~ +note: 't144' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:641:31: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^~~~ -note: 't335' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: + 641 | t393 = t392*t149 + | ^ +Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:73: - 1475 | t41*t328*t466 - | ^ -Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:58: + 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & + | ^~~~ +note: 't149' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:656:32: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^~~~ -note: 't339' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: + 656 | t428 = omega*t150 + | ^ +Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:22: - 1475 | t41*t328*t466 - | ^ -Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:69: + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + | ^~~~ +note: 't150' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:647:30: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^~~~ -note: 't343' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1404:40: + 647 | t405 = t151*t44 + | ^ +Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:77: - 1404 | REAL(t46, KIND=dp) - | ^ -Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:75: + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + | ^~~~ +note: 't151' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:654:35: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^~~~ -note: 't346' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: + 654 | *t49*t245*t25 + | ^ +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:52: - 1475 | t41*t328*t466 - | ^ -Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:81: + 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & + | ^~~~ +note: 't155' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:654:35: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^~~~ -note: 't347' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: + 654 | *t49*t245*t25 + | ^ +Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:86: - 1475 | t41*t328*t466 - | ^ -Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:87: + 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & + | ^~~~ +note: 't156' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:561:28: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^~~~ -note: 't351' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: + 561 | t224 = t9*t16 + | ^ +Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:87: - 1419 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't354' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:93: + 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & + | ^~~ +note: 't16' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:642:31: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & - | ^~~~ -note: 't354' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1361:30: + 642 | t394 = t393*t160 + | ^ +Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:92: - 1361 | t601 = t27*t358 - | ^ -Warning: 't358' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:10: + 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & + | ^~~~ +note: 't160' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:783:70: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^~~~ -note: 't358' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1584:49: + 783 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735 + | ^ +Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:52: - 1584 | *sx - | ^ -Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:21: + 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 + | ^~~~ +note: 't161' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:661:31: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^~~~ -note: 't365' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1551:32: + 661 | t445 = t164*t444 + | ^ +Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:59: - 1551 | t98*t1400 - | ^ -Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:27: + 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & + | ^~~~ +note: 't164' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:708:26: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^~~~ -note: 't368' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1492:76: + 708 | t537 + | ^ +Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:17: - 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:38: + 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & + | ^~~~ +note: 't165' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:708:26: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^~~~ -note: 't372' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: + 708 | t537 + | ^ +Warning: 't166' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:51: - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't377' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:44: + 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & + | ^~~~ +note: 't166' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:708:26: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^~~~ -note: 't377' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: + 708 | t537 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:17: - 1440 | *t244*ndrho/t657/t7*t669) - | ^ -Warning: 't382' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:55: + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & + | ^~~ +note: 't17' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:708:26: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^~~~ -note: 't382' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: + 708 | t537 + | ^ +Warning: 't170' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:22: - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:61: + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & + | ^~~~ +note: 't170' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:708:26: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^~~~ -note: 't383' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: + 708 | t537 + | ^ +Warning: 't171' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:77: - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:67: + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & + | ^~~~ +note: 't171' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:783:70: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^~~~ -note: 't384' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: + 783 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735 + | ^ +Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:38: - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:78: + 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & + | ^~~~ +note: 't172' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:668:30: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^~~~ -note: 't393' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: + 668 | t470 = t176*t40 + | ^ +Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:31: - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't397' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:84: + 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & + | ^~~~ +note: 't176' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:764:31: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & - | ^~~~ -note: 't397' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: + 764 | t708 = t707*t177 + | ^ +Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:86: - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:10: + 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & + | ^~~~ +note: 't177' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:754:31: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^~~~ -note: 't400' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: + 754 | t658 = t657*t178 + | ^ +Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:38: - 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) - | ^ -Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:16: + 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & + | ^~~~ +note: 't178' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^~~~ -note: 't401' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1551:32: + 2710 | t5011 + t5001 + | ^ +Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:17: - 1551 | t98*t1400 - | ^ -Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:22: + 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & + | ^~~ +note: 't18' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:679:35: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^~~~ -note: 't404' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1492:76: + 679 | *t61*t262*t25 + | ^ +Warning: 't182' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:78: - 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:28: + 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & + | ^~~~ +note: 't182' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:679:35: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^~~~ -note: 't405' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1492:76: + 679 | *t61*t262*t25 + | ^ +Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:38: - 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:34: + 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & + | ^~~~ +note: 't183' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:774:30: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^~~~ -note: 't408' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: + 774 | t732 = t60*t187 + | ^ +Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:59: - 1542 | *t36*t38*t1396 - | ^ -Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:51: + 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & + | ^~~~ +note: 't187' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:682:30: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^~~~ -note: 't413' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: + 682 | t503 = t189*t67 + | ^ +Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:31: - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:57: + 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & + | ^~~~ +note: 't189' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:646:30: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^~~~ -note: 't417' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: + 646 | t401 = t19*t140 + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:65: - 1542 | *t36*t38*t1396 - | ^ -Warning: 't418' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:63: + 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & + | ^~~ +note: 't19' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:700:63: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^~~~ -note: 't418' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: + 700 | *t192*t531 - 0.5555555558e-1_dp*t192*t534 + | ^ +Warning: 't192' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:31: - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:74: + 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 + | ^~~~ +note: 't192' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:691:36: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^~~~ -note: 't428' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: + 691 | t527 = t194*t187*t526 + | ^ +Warning: 't194' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:52: - 1542 | *t36*t38*t1396 - | ^ -Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:80: + 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & + | ^~~~ +note: 't194' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:578:30: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^~~~ -note: 't429' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: + 578 | t271 = t195*t17 + | ^ +Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:79: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:91: + 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & + | ^~~~ +note: 't195' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:778:87: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & - | ^~~~ -note: 't435' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: + 778 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 + | ^ +Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:17: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't451' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:15: + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + | ^~~~ +note: 't196' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:694:31: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^~~~ -note: 't451' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1512:57: + 694 | t534 = t199*t267 + | ^ +Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:45: - 1512 | + 0.5999999999e1_dp*t128*t132*t529 - | ^ -Warning: 't452' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:21: + 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & + | ^~~~ +note: 't199' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:672:30: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^~~~ -note: 't452' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: + 672 | t474 = t20*t140 + | ^ +Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:72: - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:27: + 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & + | ^~~ +note: 't20' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:778:87: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^~~~ -note: 't455' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: + 778 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 + | ^ +Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:77: - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_fxc_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_fxc_kernel.F90 -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:33: + 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & + | ^~~~ +note: 't200' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:667:30: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^~~~ -note: 't457' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: + 667 | t466 = t27*t203 + | ^ +Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:73: - 1454 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't460' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:44: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^~~~ +note: 't203' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:638:30: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^~~~ -note: 't460' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 638 | t384 = t45*t207 + | ^ +Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:59: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't462' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:50: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^~~~ +note: 't207' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:684:29: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^~~~ -note: 't462' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: + 684 | t511 = t22*t70 + | ^ +Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:10: - 1475 | t41*t328*t466 - | ^ -Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:56: + 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & + | ^~~ +note: 't22' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:717:66: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^~~~ -note: 't463' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 717 | t557 = 0.60e1_dp*t550*t551 + 0.60e1_dp*t24*t23*t132 + | ^ +Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:318:45: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:62: + 318 | t2287, t2292, t2295, t2296, t2299, t23, t230, t2300, t2304, t2307, t2308, t2311, t2312, & + | ^~~ +note: 't23' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:750:49: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^~~~ -note: 't464' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 750 | *t615 - 0.20e1_dp*t102*t646 + | ^ +Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:77: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't465' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:68: + 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & + | ^~~ +note: 't24' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:708:26: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 - | ^~~~ -note: 't465' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: + 708 | t537 + | ^ +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:78: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't466' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:24: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^~~ +note: 't25' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2690:32: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^~~~ -note: 't466' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 2690 | t6267 = t26*t1447 + | ^ +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:45: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't467' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:30: + 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 + | ^~~ +note: 't26' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:667:30: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^~~~ -note: 't467' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1397:29: + 667 | t466 = t27*t203 + | ^ +Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:83: - 1397 | t132 = t1*t131 - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1468:68: + 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & + | ^~~ +note: 't27' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:631:32: - 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't470' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1242:77: + 631 | *t366*t372 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:70: - 1242 | REAL(KIND=dp) :: ap, bp, cp, d2f0, myrho, myrhoa, myrhob, Qa, Qf, Qp, t1, t100, t101, t1010, & - | ^~ -note: 't1' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1488:29: + 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & + | ^~~ +note: 't31' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:605:39: - 1488 | t276 = t101**2 - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:41: + 605 | t326 = 0.1e1_dp/t103/t35 + | ^ +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:17: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^~~~ -note: 't470' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1242:87: + 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & + | ^~~ +note: 't35' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:599:37: - 1242 | REAL(KIND=dp) :: ap, bp, cp, d2f0, myrho, myrhoa, myrhob, Qa, Qf, Qp, t1, t100, t101, t1010, & - | ^~~~ -note: 't101' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1505:72: + 599 | t313 = t311*t36*my_rho + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:92: - 1505 | t109*(t295*t96 + 0.3177280975e0_dp*t298*t284)*t122 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & + | ^~~ +note: 't36' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:719:61: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1244:17: + 719 | t561 = 0.40e1_dp*t24*t37 - 0.20e1_dp*t102*t558 + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:17: - 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & - | ^~~~ -note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1404:30: + 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & + | ^~~ +note: 't37' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:556:28: - 1404 | t143 = t11*t142 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:47: + 556 | t217 = t4*t41 + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:64: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^~~~ -note: 't473' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1244:44: + 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & + | ^~ +note: 't4' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:668:30: - 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & - | ^~~ -note: 't11' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1500:40: + 668 | t470 = t176*t40 + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:68: - 1500 | t294 = t110**(-0.20e1_dp) - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1468:68: + 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & + | ^~~ +note: 't40' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:643:39: - 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 - | ^ -Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1244:49: + 643 | t398 = 0.1e1_dp/t41/t176 + | ^ +Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:50: - 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & - | ^~~~ -note: 't110' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1498:31: + 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & + | ^~~ +note: 't41' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:637:31: - 1498 | t291 = t111*t264 + 637 | t383 = t42*omega | ^ -Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1244:69: +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:95: - 1244 | t1089, t109, t1094, t1096, t1099, t11, t110, t1108, t1109, t111, t1110, t1111, t1113, & - | ^~~~ -note: 't111' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:53: + 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & + | ^~~ +note: 't42' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^~~~ -note: 't478' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1502:31: + 714 | t46*t541))*sx + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:90: - 1502 | t297 = t116*t277 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & + | ^~~ +note: 't43' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1246:24: + 714 | t46*t541))*sx + | ^ +Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:82: - 1246 | t1154, t1157, t116, t1160, t1165, t1166, t1168, t1171, t1181, t12, t120, t1205, t1208, & - | ^~~~ -note: 't116' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1515:30: + 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & + | ^~~ +note: 't46' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:644:30: - 1515 | t316 = t315*t12 + 644 | t399 = t47*t398 | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1246:72: +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:342:37: - 1246 | t1154, t1157, t116, t1160, t1165, t1166, t1168, t1171, t1181, t12, t120, t1205, t1208, & - | ^~~ -note: 't12' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:59: + 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707 + | ^~~ +note: 't47' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:587:38: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^~~~ -note: 't479' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1505:72: + 587 | t289 = my_rho*t48*omega + | ^ +Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:346:17: - 1505 | t109*(t295*t96 + 0.3177280975e0_dp*t298*t284)*t122 - | ^ -Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1247:24: + 346 | t4797, t48, t4800, t4801, t4804, t4808, t4812, t4817, t4820, t4829, t4830, t4833, t4834, & + | ^~~ +note: 't48' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:654:35: - 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & - | ^~~~ -note: 't122' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1805:29: + 654 | *t49*t245*t25 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:348:72: - 1805 | t778 = t125*t1 - | ^ -Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1247:65: + 348 | t4881, t4884, t4887, t4889, t489, t4893, t4895, t4897, t4898, t49, t4901, t4904, t4905, & + | ^~~ +note: 't49' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:570:30: - 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & - | ^~~~ -note: 't125' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 570 | t245*t17 + | ^ +Warning: 't50' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:57: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't482' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1524:31: + 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & + | ^~~ +note: 't50' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: - 1524 | t327 = t126*t309 - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1247:85: + 714 | t46*t541))*sx + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:364:24: - 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & - | ^~~~ -note: 't126' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:70: + 364 | REAL(KIND=dp) :: t55, t550, t5503, t5507, t5509, t551, t5511, t5516, t5523, t5525, t5528, & + | ^~~ +note: 't55' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:674:30: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^~~~ -note: 't482' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1529:56: + 674 | t479 = t56*t140 + | ^ +Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:367:31: - 1529 | t55 + t93 + t127)*sc - | ^ -Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1247:91: + 367 | t5593, t5595, t5597, t56, t5600, t5602, t5604, t5607, t561, t5610, t5611, t5613, t5619, & + | ^~~ +note: 't56' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:585:27: - 1247 | t1211, t1218, t122, t1221, t1235, t1238, t1244, t1245, t125, t1250, t1252, t126, t127, & - | ^~~~ -note: 't127' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1507:30: + 585 | *t278 + | ^ +Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:370:65: - 1507 | t306 = t13*t305 + 370 | t5686, t5689, t569, t5692, t5695, t5696, t5698, t5699, t57, t5701, t5705 + | ^~~ +note: 't57' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:767:30: + + 767 | t713 = t58*t649 | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1248:30: +Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:373:51: - 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 - | ^~~ -note: 't13' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1442:30: + 373 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & + | ^~~ +note: 't58' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:763:30: - 1442 | t203 = t15*t202 + 763 | t707 = t187*t59 | ^ -Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1251:83: - - 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^~~ -note: 't15' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:376:24: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1420:47: + 376 | t5891, t5898, t59, t590, t5902, t5905, t5908, t5911, t5913, t5918, t5922, t5925, t5926, & + | ^~~ +note: 't59' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:622:33: - 1420 | t168 = t17**(-0.3333333332e0_dp) - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1256:92: + 622 | t365 = t6*my_ndrho + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:379:58: - 1256 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & - | ^~~ -note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1483:30: + 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & + | ^~ +note: 't6' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:774:30: - 1483 | t265 = t18*t264 + 774 | t732 = t60*t187 | ^ -Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1258:92: - - 1258 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & - | ^~~ -note: 't18' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1529:56: +Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:379:62: - 1529 | t55 + t93 + t127)*sc - | ^ -Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1262:24: + 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & + | ^~~ +note: 't60' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:679:35: - 1262 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 - | ^~ -note: 't2' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1441:70: + 679 | *t61*t262*t25 + | ^ +Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:382:71: - 1441 | t37*(t193*t23 + 0.3177280975e0_dp*t196*t180)*t51 - | ^ -Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:76: + 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & + | ^~~ +note: 't61' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:679:35: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^~~~ -note: 't486' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:46: + 679 | *t61*t262*t25 + | ^ +Warning: 't62' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:385:59: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^~~ -note: 't23' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1431:30: + 385 | REAL(KIND=dp) :: t6186, t6189, t6192, t6194, t6198, t62, t6201, t6207, t6210, t6213, t6216, & + | ^~~ +note: 't62' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:778:87: - 1431 | t184 = t183*t24 - | ^ -Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: + 778 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 + | ^ +Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:91: - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:82: + 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & + | ^~~ +note: 't65' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:687:30: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^~~~ -note: 't489' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1483:76: + 687 | t516 = t66*t515 + | ^ +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:90: - 1483 | + t1136) - | ^ -Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:87: + 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & + | ^~~ +note: 't66' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:648:30: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^~~ -note: 't24' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1422:28: + 648 | t406 = t68*t140 + | ^ +Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:47: - 1422 | t172 = t29**2 - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:93: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^~~ +note: 't68' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1680:30: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & - | ^~~~ -note: 't492' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:22: + 1680 | t3097 = t66*t69 + | ^ +Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:58: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^~~ -note: 't29' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1512:32: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^~~ +note: 't69' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: - 1512 | t309 = -t3 - t132 - | ^ -Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:63: + 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:63: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^~ -note: 't3' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1429:30: - - 1429 | t857 = t27*t496 - | ^ -Warning: 't496' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1441:70: - - 1441 | t37*(t193*t23 + 0.3177280975e0_dp*t196*t180)*t51 - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:16: +note: 't7' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:684:29: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^~~ -note: 't37' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1436:39: + 684 | t511 = t22*t70 + | ^ +Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:67: - 1436 | t192 = t39**(-0.20e1_dp) - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:10: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^~~ +note: 't70' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:778:87: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^~~~ -note: 't496' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:10: + 778 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 + | ^ +Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:10: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & | ^~~ -note: 't39' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1403:35: - - 1403 | t142 = t4**0.30e1_dp - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:45: - - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^~ -note: 't4' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1434:30: +note: 't71' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:663:30: - 1434 | t189 = t40*t155 + 663 | t450 = t114*t74 | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1584:49: +Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:81: - 1584 | *sx - | ^ -Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:49: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^~~ +note: 't74' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^~~ -note: 't40' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1438:30: + 714 | t46*t541))*sx + | ^ +Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:64: - 1438 | t195 = t45*t173 - | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:20: + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^~~ +note: 't78' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^~~~ -note: 't501' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:28: + 714 | t46*t541))*sx + | ^ +Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:93: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^~~ -note: 't45' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1394:42: - - 1394 | t129 = t5**0.333333333e0_dp - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1551:32: - - 1551 | t98*t1400 - | ^ -Warning: 't502' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:34: - - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^~ -note: 't5' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1441:70: - - 1441 | t37*(t193*t23 + 0.3177280975e0_dp*t196*t180)*t51 - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:26: - - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^~~~ -note: 't502' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:62: - - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^~~ -note: 't51' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1518:30: - - 1518 | t321 = t320*t54 - | ^ -Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1551:32: - - 1551 | t98*t1400 - | ^ -Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:90: - - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^~~ -note: 't54' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1529:56: - - 1529 | t55 + t93 + t127)*sc - | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:52: - - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^~~ -note: 't55' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1519:30: - - 1519 | t322 = t315*t56 - | ^ -Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:32: + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^~~ +note: 't79' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:787:108: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^~~~ -note: 't505' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:69: + 787 | *t83*t653 - 0.2222222224e0_dp*t144*t46*t739))*sx + | ^ +Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:40: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^~~ -note: 't56' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^~ +note: 't8' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1475:30: + 714 | t46*t541))*sx + | ^ +Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:86: - 1475 | t255 = t57*t254 - | ^ -Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:38: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^~~ +note: 't83' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^~~~ -note: 't508' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:22: + 714 | t46*t541))*sx + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:10: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^~~ -note: 't57' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1472:70: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^~~ +note: 't84' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1467:70: - 1472 | t73*(t243*t60 + 0.3177280975e0_dp*t246*t232)*t86 + 1467 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 | ^ -Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:26: - - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^~~ -note: 't60' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1464:30: - - 1464 | t236 = t235*t61 - | ^ -Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: - - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:85: - - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^~~ -note: 't61' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:49: +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:15: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^~~~ -note: 't513' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1455:28: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^~~ +note: 't85' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:593:28: - 1455 | t224 = t65**2 + 593 | t302 = t7*t86 | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:22: - - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^~~ -note: 't65' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: - - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't514' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1472:70: - - 1472 | t73*(t243*t60 + 0.3177280975e0_dp*t246*t232)*t86 - | ^ -Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:10: - - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^~~ -note: 't73' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1467:39: - - 1467 | t242 = t74**(-0.20e1_dp) - | ^ -Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:55: - - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^~~~ -note: 't514' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:39: - - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^~~ -note: 't74' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1465:30: - - 1465 | t239 = t75*t212 - | ^ -Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:86: - - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^~~ -note: 't75' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1399:42: - - 1399 | t136 = t8**0.333333333e0_dp - | ^ -Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1365:38: - - 1365 | t624 = 0.1e1_dp/t8/t519 - | ^ -Warning: 't519' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:16: - - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^~ -note: 't8' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1469:30: - - 1469 | t245 = t80*t225 - | ^ -Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:20: - - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^~~ -note: 't80' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1472:70: - - 1472 | t73*(t243*t60 + 0.3177280975e0_dp*t246*t232)*t86 - | ^ Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:61: - - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^~~~ -note: 't519' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1290:57: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:50: - 1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 - | ^~~ + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^~~ note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1790:29: - - 1790 | t757 = t89*t91 - | ^ -Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:746:73: - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't521' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1291:90: + 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:91: - 1291 | REAL(KIND=dp) :: t865, t866, t869, t870, t873, t874, t875, t878, t881, t884, t887, t89, & - | ^~~ -note: 't89' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1786:30: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^~~ +note: 't87' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:750:49: - 1786 | t752 = t90*t751 - | ^ -Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1292:38: + 750 | *t615 - 0.20e1_dp*t102*t646 + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:28: - 1292 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & - | ^~~ -note: 't90' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:72: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^~~ +note: 't88' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:561:28: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^~~~ -note: 't521' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: + 561 | t224 = t9*t16 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:75: - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't525' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1521:30: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^~ +note: 't9' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:597:30: - 1521 | t324 = t317*t92 + 597 | t309 = t308*t92 | ^ Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1292:78: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:22: - 1292 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & - | ^~~ + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^~~ note: 't92' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1529:56: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:635:71: - 1529 | t55 + t93 + t127)*sc - | ^ + 635 | *t322 + 0.40e1_dp*t102*t329 - 0.20e1_dp*t102*t376 + | ^ Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:78: - - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^~~~ -note: 't525' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1292:83: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:51: - 1292 | t890, t891, t893, t896, t9, t90, t901, t903, t905, t906, t91, t914, t92, t93, t937, t942, & - | ^~~ + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^~~ note: 't93' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1467:70: - 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1505:72: + 1467 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:62: - 1505 | t109*(t295*t96 + 0.3177280975e0_dp*t298*t284)*t122 - | ^ -Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:84: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^~~ +note: 't94' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:612:38: - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^~~~ -note: 't526' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1293:28: + 612 | t341 = 0.1e1_dp/t19/t95 + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:48: - 1293 | t945, t948, t957, t96, t97, t972, t979, t982, t984, t986, t993, t996, x0p - | ^~~ -note: 't96' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1497:30: + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^~~ +note: 't95' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:739:30: - 1497 | t288 = t287*t97 + 739 | t627 = t97*t132 | ^ Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1584:49: - - 1584 | *sx - | ^ -Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1293:33: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:28: - 1293 | t945, t948, t957, t96, t97, t972, t979, t982, t984, t986, t993, t996, x0p - | ^~~ + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^~~ note: 't97' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1766:29: - - 1766 | t719 = t129*t1 - | ^ -Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1248:17: - - 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 - | ^~~~ -note: 't129' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:90: - - 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & - | ^~~~ -note: 't529' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1559:29: - - 1559 | t370 = t130**2 - | ^ -Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1248:35: - - 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 - | ^~~~ -note: 't130' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1719:31: - - 1719 | t636 = t635*t131 - | ^ -Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1248:41: - - 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 - | ^~~~ -note: 't131' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1551:32: - - 1551 | t98*t1400 - | ^ -Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1801:31: - - 1801 | t772 = t125*t133 - | ^ -Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1248:53: - - 1248 | t1284, t129, t1299, t13, t130, t131, t132, t133, t1341, t1344 - | ^~~~ -note: 't133' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1768:29: - - 1768 | t725 = t136*t1 - | ^ -Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1249:38: - - 1249 | REAL(KIND=dp) :: t1346, t1358, t136, t1360, t1361, t1363, t1365, t1368, t137, t1371, t1372, & - | ^~~~ -note: 't136' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:10: - - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^~~~ -note: 't530' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1767:31: - - 1767 | t722 = t343*t137 - | ^ -Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1249:79: - - 1249 | REAL(KIND=dp) :: t1346, t1358, t136, t1360, t1361, t1363, t1365, t1368, t137, t1371, t1372, & - | ^~~~ -note: 't137' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1544:31: - - 1544 | t352 = t140*t142 - | ^ -Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1250:66: - - 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & - | ^~~~ -note: 't140' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't536' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1692:31: - - 1692 | t596 = t141*t305 - | ^ -Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1250:79: - - 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & - | ^~~~ -note: 't141' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:28: - - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^~~~ -note: 't536' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't537' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1773:31: - - 1773 | t732 = t315*t142 - | ^ -Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1250:85: - - 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & - | ^~~~ -note: 't142' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1850:31: - - 1850 | t833 = t143*t832 - | ^ -Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1250:91: - - 1250 | t1374, t1377, t1380, t1383, t1388, t1389, t1391, t1394, t140, t1404, t141, t142, t143, & - | ^~~~ -note: 't143' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:34: - - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^~~~ -note: 't537' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1634:31: - - 1634 | t491 = t144*t254 - | ^ -Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1251:10: - - 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^~~~ -note: 't144' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1553:31: - - 1553 | t364 = t147*t202 - | ^ -Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't539' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1251:30: - - 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^~~~ -note: 't147' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:40: - - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^~~~ -note: 't539' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: - - 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ -Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1251:43: - - 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^~~~ -note: 't148' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1705:31: - - 1705 | t610 = t149*t264 - | ^ -Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1251:63: - - 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^~~~ -note: 't149' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't562' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1579:32: - - 1579 | *t156*t399 - | ^ -Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1251:88: - - 1251 | t144, t1455, t1469, t147, t1477, t148, t1480, t1483, t149, t1490, t1493, t15, t150, & - | ^~~~ -note: 't150' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1706:31: - - 1706 | t611 = t151*t269 - | ^ -Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1252:17: - - 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & - | ^~~~ -note: 't151' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1566:39: - - 1566 | t383 = 0.1e1_dp/t154/t23 - | ^ -Warning: 't154' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1252:65: - - 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & - | ^~~~ -note: 't154' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:51: - - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^~~~ -note: 't562' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1598:31: - - 1598 | t439 = t183*t155 - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1252:71: - - 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & - | ^~~~ -note: 't155' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't566' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1579:32: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2419:50: - 1579 | *t156*t399 - | ^ -Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1252:77: + 2419 | t5564 = 0.1173333333e3_dp*t5060*t98 + | ^ +Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:69: - 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & - | ^~~~ -note: 't156' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1572:49: + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^~~ +note: 't98' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:750:49: - 1572 | t392 = 0.6057068640e0_dp*t157*t337 + 750 | *t615 - 0.20e1_dp*t102*t646 | ^ -Warning: 't157' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1252:90: - - 1252 | t1507, t151, t1510, t1516, t1517, t1522, t1524, t1527, t154, t155, t156, t1567, t157, & - | ^~~~ -note: 't157' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:57: - - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^~~~ -note: 't566' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1734:31: - - 1734 | t667 = t666*t160 - | ^ -Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1253:84: - - 1253 | t1570, t1576, t1578, t1580, t1582, t1588, t159, t1590, t1593, t1599, t16, t160, t1602, & - | ^~~~ -note: 't160' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1576:32: - - 1576 | *t161*t379 - | ^ -Warning: 't161' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't570' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1254:45: - - 1254 | t1603, t1604, t1605, t1606, t1609, t161, t1610, t1611, t1613, t1615, t1620, t1622, t1626, & - | ^~~~ -note: 't161' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1622:54: - - 1622 | t473*t435)*t51 - | ^ -Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:63: - - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^~~~ -note: 't570' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1255:17: - - 1255 | t1639, t164, t1653, t1654, t1657, t1659, t1664, t1666, t1668, t167 - | ^~~~ -note: 't164' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1582:31: - - 1582 | t407 = t167*t406 - | ^ -Warning: 't167' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't571' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1255:72: - - 1255 | t1639, t164, t1653, t1654, t1657, t1659, t1664, t1666, t1668, t167 - | ^~~~ -note: 't167' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:69: +Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:10: - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^~~~ -note: 't571' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1716:31: + 401 | t99, t991, t995, t997, xx + | ^~~ +note: 't99' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85: - 1716 | t631 = t630*t168 - | ^ -Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1256:45: + 1745 | + t3288) + | ^ +Warning: 't214' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:45: - 1256 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & + 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 | ^~~~ -note: 't168' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1622:54: - - 1622 | t473*t435)*t51 - | ^ -Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1256:51: - - 1256 | REAL(KIND=dp) :: t1671, t1672, t1675, t168, t169, t1690, t1694, t1696, t1697, t1698, t17, & - | ^~~~ -note: 't169' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1591:29: - - 1591 | t427 = t172**2 - | ^ -Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1257:17: - - 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & - | ^~~~ -note: 't172' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1589:31: - - 1589 | t421 = t174*t393 - | ^ -Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1257:43: - - 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & - | ^~~~ -note: 't174' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1622:54: - - 1622 | t473*t435)*t51 - | ^ -Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1257:49: - - 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & - | ^~~~ -note: 't175' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't572' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1596:40: - - 1596 | t434 = 0.1e1_dp/t432*t176 - | ^ -Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1257:69: - - 1257 | t1701, t172, t1726, t173, t1730, t174, t175, t1750, t1754, t176, t1764, t1765, t1768, & - | ^~~~ -note: 't176' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1595:29: +note: 't214' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85: - 1595 | t432 = t178**2 - | ^ -Warning: 't178' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1258:31: + 1745 | + t3288) + | ^ +Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:31: - 1258 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & + 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & | ^~~~ -note: 't178' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1590:31: - - 1590 | t424 = t379*t179 - | ^ -Warning: 't179' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1258:72: - - 1258 | t1775, t1776, t1778, t178, t1782, t1783, t1785, t1786, t1789, t179, t1795, t1797, t18, & - | ^~~~ -note: 't179' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:75: - - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^~~~ -note: 't572' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: - - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't573' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:81: - - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^~~~ -note: 't573' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't574' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:87: - - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^~~~ -note: 't574' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: - - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't575' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:93: - - 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & - | ^~~~ -note: 't575' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't576' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1052:10: - - 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^~~~ -note: 't576' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1598:31: - - 1598 | t439 = t183*t155 - | ^ -Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1259:37: - - 1259 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & - | ^~~~ -note: 't183' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1606:43: - - 1606 | t450*t385 - t189*t399 - | ^ -Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1259:71: - - 1259 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & - | ^~~~ -note: 't184' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1602:31: - - 1602 | t447 = t185*t337 - | ^ -Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1259:77: - - 1259 | t180, t1804, t1826, t1829, t183, t1832, t1836, t1838, t1839, t184, t185, t1850, t1853, & - | ^~~~ -note: 't185' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1754:62: - - 1754 | *t697*t662)*t122) - | ^ -Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1260:17: - - 1260 | t1858, t186, t1868, t1870, t1872, t1884, t1886, t189, t1891, t1893, t1894, t1897, t19, & - | ^~~~ -note: 't186' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1606:43: - - 1606 | t450*t385 - t189*t399 - | ^ -Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1260:58: - - 1260 | t1858, t186, t1868, t1870, t1872, t1884, t1886, t189, t1891, t1893, t1894, t1897, t19, & - | ^~~~ -note: 't189' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1609:31: - - 1609 | t458 = t191*t457 - | ^ -Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1261:24: - - 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & - | ^~~~ -note: 't191' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: - - 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't580' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1607:31: - - 1607 | t455 = t454*t192 - | ^ -Warning: 't192' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1261:30: - - 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & - | ^~~~ -note: 't192' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1622:54: - - 1622 | t473*t435)*t51 - | ^ -Warning: 't193' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1261:36: - - 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & - | ^~~~ -note: 't193' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1613:31: - - 1613 | t467 = t195*t393 - | ^ -Warning: 't195' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1261:63: - - 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & - | ^~~~ -note: 't195' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1052:16: - - 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^~~~ -note: 't580' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1622:54: - - 1622 | t473*t435)*t51 - | ^ -Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1261:69: - - 1261 | t1901, t1904, t191, t192, t193, t1939, t1945, t1949, t195, t196, t1975, t1979, t1986, & - | ^~~~ -note: 't196' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1779:31: - - 1779 | t743 = t320*t202 - | ^ -Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1262:61: - - 1262 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 - | ^~~~ -note: 't202' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: - - 1542 | *t36*t38*t1396 - | ^ -Warning: 't586' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1758:35: - - 1758 | t709 = 0.2e1_dp*t203 - | ^ -Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1052:22: - - 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^~~~ -note: 't586' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1262:74: - - 1262 | t1998, t1999, t2, t20, t2010, t2011, t2014, t2019, t202, t2025, t203 - | ^~~~ -note: 't203' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1496:31: - - 1496 | t1153 = t27*t590 - | ^ -Warning: 't590' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1628:31: - - 1628 | t485 = t204*t254 - | ^ -Warning: 't204' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:24: - - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^~~~ -note: 't204' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1052:33: - - 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^~~~ -note: 't590' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: +note: 't217' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: - 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ -Warning: 't205' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:37: + 1551 | *t2565*t796 + | ^ +Warning: 't218' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:37: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & | ^~~~ -note: 't205' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1763:88: - - 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc - | ^ -Warning: 't206' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:43: - - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^~~~ -note: 't206' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: - - 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ -Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:49: - - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^~~~ -note: 't207' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1648:32: - - 1648 | *t213*t513 - | ^ -Warning: 't208' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:55: - - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^~~~ -note: 't208' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1640:39: - - 1640 | t503 = 0.1e1_dp/t211/t60 - | ^ -Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:61: - - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^~~~ -note: 't211' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1666:31: - - 1666 | t552 = t235*t212 - | ^ -Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:67: - - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^~~~ -note: 't212' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1648:32: - - 1648 | *t213*t513 - | ^ -Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:73: - - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^~~~ -note: 't213' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1645:32: +note: 't218' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1193:32: - 1645 | *t214*t379 + 1193 | t1645 = beta*t219 | ^ -Warning: 't214' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:79: - - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^~~~ -note: 't214' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1687:64: - - 1687 | *t583*t548)*t86)*t91 - | ^ -Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:85: +Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:64: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^~~~ -note: 't217' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1650:31: + 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & + | ^~~~ +note: 't219' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: - 1650 | t520 = t220*t406 - | ^ + 1551 | *t2565*t796 + | ^ Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:91: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:15: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & - | ^~~~ + 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & + | ^~~~ note: 't220' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1687:64: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1088:28: - 1687 | *t583*t548)*t86)*t91 - | ^ + 1088 | t1444 + | ^ Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:10: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:49: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^~~~ + 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & + | ^~~~ note: 't221' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1659:29: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:888:40: - 1659 | t540 = t224**2 - | ^ + 888 | t995 = 0.1e1_dp/t787/t224 + | ^ Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:16: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:83: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^~~~ + 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & + | ^~~~ note: 't224' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_thomas_fermi.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1657:31: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1651:31: - 1657 | t534 = t226*t393 + 1651 | t2998 = t27*t225 | ^ -Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:28: - - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^~~~ -note: 't226' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1687:64: - - 1687 | *t583*t548)*t86)*t91 - | ^ -Warning: 't227' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:34: - - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^~~~ -note: 't227' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1664:40: - - 1664 | t547 = 0.1e1_dp/t545*t228 - | ^ -Warning: 't228' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:40: +Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:89: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^~~~ -note: 't228' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1663:29: + 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & + | ^~~~ +note: 't225' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1084:53: - 1663 | t545 = t230**2 - | ^ + 1084 | + 0.8000000000e1_dp*t366*t1440 + | ^ Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:51: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:318:50: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^~~~ + 318 | t2287, t2292, t2295, t2296, t2299, t23, t230, t2300, t2304, t2307, t2308, t2311, t2312, & + | ^~~~ note: 't230' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1658:31: - - 1658 | t537 = t379*t231 - | ^ -Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:57: - - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^~~~ -note: 't231' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1666:31: - - 1666 | t552 = t235*t212 - | ^ -Warning: 't235' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:69: - - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^~~~ -note: 't235' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1671:43: - - 1671 | t560*t505 - t239*t513 - | ^ -Warning: 't236' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:75: - - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^~~~ -note: 't236' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1671:43: - - 1671 | t560*t505 - t239*t513 - | ^ -Warning: 't239' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:81: - - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^~~~ -note: 't239' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1674:31: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1559:85: - 1674 | t568 = t241*t567 - | ^ -Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:92: + 1559 | - 0.20e1_dp*t102*t105*t2569 - 0.6400000001e2_dp*t321*t953*t979 + | ^ +Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:24: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & - | ^~~~ -note: 't241' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1672:31: + 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & + | ^~~~ +note: 't233' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1153:44: - 1672 | t565 = t564*t242 - | ^ -Warning: 't242' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:10: + 1153 | t1584 = 0.320e2_dp*t1582*t234 + | ^ +Warning: 't234' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:30: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^~~~ -note: 't242' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1687:64: + 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & + | ^~~~ +note: 't234' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85: - 1687 | *t583*t548)*t86)*t91 - | ^ -Warning: 't243' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:16: + 1745 | + t3288) + | ^ +Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:50: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^~~~ -note: 't243' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1678:31: + 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & + | ^~~~ +note: 't237' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1328:32: - 1678 | t577 = t245*t393 - | ^ + 1328 | t1912 = t399*t245 + | ^ Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:22: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:31: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^~~~ + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^~~~ note: 't245' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1687:64: - - 1687 | *t583*t548)*t86)*t91 - | ^ -Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:28: - - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^~~~ -note: 't246' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2159:52: - - 2159 | t1730 = 0.160e2_dp*t755*t756*t252*t91 - | ^ -Warning: 't252' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:34: - - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^~~~ -note: 't252' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2167:49: - - 2167 | t1768 = 0.2400e2_dp*t750*t253*t751 - | ^ -Warning: 't253' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:40: - - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^~~~ -note: 't253' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1796:31: - - 1796 | t764 = t317*t254 - | ^ -Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:46: - - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^~~~ -note: 't254' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1759:35: - - 1759 | t712 = 0.2e1_dp*t255 - | ^ -Warning: 't255' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:52: - - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^~~~ -note: 't255' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: - - 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ -Warning: 't256' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:58: - - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^~~~ -note: 't256' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1799:31: - - 1799 | t769 = t732*t257 - | ^ -Warning: 't257' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:64: - - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^~~~ -note: 't257' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1763:88: - - 1763 | + t712 + 0.2e1_dp*t256 + 0.80e1_dp*t258 + t715)*sc - | ^ -Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:70: - - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^~~~ -note: 't258' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: - - 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ -Warning: 't259' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:76: - - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^~~~ -note: 't259' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1715:32: - - 1715 | *t265*t627 - | ^ -Warning: 't260' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:82: - - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^~~~ -note: 't260' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1707:39: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1524:40: - 1707 | t617 = 0.1e1_dp/t263/t96 - | ^ -Warning: 't263' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:88: + 1524 | *t1368*t166*t2160 + | ^ +Warning: 't249' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:65: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^~~~ -note: 't263' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1733:31: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^~~~ +note: 't249' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1128:56: - 1733 | t666 = t287*t264 - | ^ -Warning: 't264' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:94: + 1128 | + 0.3333333334e0_dp*t55*t57*t1531 + | ^ +Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:83: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & - | ^~~~ -note: 't264' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1715:32: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^~~~ +note: 't250' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1287:32: - 1715 | *t265*t627 + 1287 | t1821 = t472*t262 | ^ -Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:10: +Warning: 't262' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:63: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^~~~ -note: 't265' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1712:32: + 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 + | ^~~~ +note: 't262' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1679:69: - 1712 | *t266*t379 - | ^ + 1679 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201 + | ^ Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:16: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:65: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^~~~ + 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & + | ^~~~ note: 't266' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1754:62: - - 1754 | *t697*t662)*t122) - | ^ -Warning: 't269' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:22: - - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^~~~ -note: 't269' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1717:31: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: - 1717 | t634 = t272*t406 - | ^ -Warning: 't272' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:33: + 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 + | ^ +Warning: 't267' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:71: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^~~~ -note: 't272' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1754:62: + 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & + | ^~~~ +note: 't267' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: - 1754 | *t697*t662)*t122) - | ^ -Warning: 't273' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:39: + 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 + | ^ +Warning: 't268' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:77: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^~~~ -note: 't273' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1726:29: + 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & + | ^~~~ +note: 't268' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1505:51: - 1726 | t654 = t276**2 - | ^ -Warning: 't276' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:45: + 1505 | 0.1111111112e0_dp*t1129*t271 + | ^ +Warning: 't271' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:10: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^~~~ -note: 't276' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1724:31: + 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + | ^~~~ +note: 't271' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1809:33: - 1724 | t648 = t278*t393 - | ^ -Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:57: + 1809 | t3569 = t274*t1505 + | ^ +Warning: 't274' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:37: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^~~~ -note: 't278' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1754:62: + 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + | ^~~~ +note: 't274' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34: - 1754 | *t697*t662)*t122) - | ^ -Warning: 't279' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:63: + 1692 | *t503*t2312 + | ^ +Warning: 't275' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:43: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^~~~ -note: 't279' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1731:40: + 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + | ^~~~ +note: 't275' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: - 1731 | t661 = 0.1e1_dp/t659*t280 - | ^ -Warning: 't280' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:74: + 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 + | ^ +Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:70: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^~~~ -note: 't280' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1730:29: + 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + | ^~~~ +note: 't278' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1745:85: - 1730 | t659 = t282**2 - | ^ + 1745 | + t3288) + | ^ Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:80: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:10: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^~~~ + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + | ^~~~ note: 't282' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1725:31: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1067:96: - 1725 | t651 = t379*t283 - | ^ + 1067 | t804 - 0.4444444448e0_dp*t43*t894 + t8*t1401)*sx + | ^ Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:86: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:30: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & - | ^~~~ + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + | ^~~~ note: 't283' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1733:31: - - 1733 | t666 = t287*t264 - | ^ -Warning: 't287' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:10: - - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^~~~ -note: 't287' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1738:43: - - 1738 | t674*t619 - t291*t627 - | ^ -Warning: 't288' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:16: - - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^~~~ -note: 't288' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1738:43: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1580:69: - 1738 | t674*t619 - t291*t627 - | ^ -Warning: 't291' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:27: + 1580 | *t55*t1082 - 0.1000000001e1_dp*t165*t2631*t237 + | ^ +Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:85: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^~~~ -note: 't291' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1741:31: + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + | ^~~~ +note: 't289' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1737:66: - 1741 | t682 = t293*t681 - | ^ -Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:33: + 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 + | ^ +Warning: 't290' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:91: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^~~~ -note: 't293' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1739:31: + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + | ^~~~ +note: 't290' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1737:66: - 1739 | t679 = t678*t294 - | ^ + 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 + | ^ Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:39: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:24: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^~~~ + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^~~~ note: 't294' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1754:62: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29: - 1754 | *t697*t662)*t122) - | ^ + 1063 | *t1397 + | ^ Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:45: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:30: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^~~~ + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^~~~ note: 't295' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1745:31: - - 1745 | t691 = t297*t393 - | ^ -Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:51: - - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^~~~ -note: 't297' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1754:62: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1161:30: - 1754 | *t697*t662)*t122) - | ^ + 1161 | t1597 = t7*t298 + | ^ Warning: 't298' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:57: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:36: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^~~~ + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^~~~ note: 't298' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2144:54: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1150:49: - 2144 | t1690 = 0.2400e2_dp*t771*t304*t133*t309 - | ^ -Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:67: + 1150 | t1579 = 0.1173333333e3_dp*t24*t299 + | ^ +Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:42: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^~~~ -note: 't304' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1809:31: + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^~~~ +note: 't299' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: - 1809 | t783 = t305*t309 - | ^ -Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:73: + 1569 | 0.5866666667e2_dp*t962*t949*t375 + | ^ +Warning: 't302' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:69: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^~~~ -note: 't305' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1760:35: + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^~~~ +note: 't302' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:863:31: - 1760 | t715 = 0.2e1_dp*t306 - | ^ + 863 | t942 = t367*t306 + | ^ Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:79: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:89: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^~~~ + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^~~~ note: 't306' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1824:31: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: - 1824 | t804 = t732*t309 + 1569 | 0.5866666667e2_dp*t962*t949*t375 + | ^ +Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:17: + + 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & + | ^~~~ +note: 't307' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:901:31: + + 901 | t1033 = t308*t12 | ^ +Warning: 't308' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:30: + + 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & + | ^~~~ +note: 't308' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:891:40: + + 891 | t1002 = 0.1e1_dp/t19/t309 + | ^ Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:85: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:43: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^~~~ + 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & + | ^~~~ note: 't309' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1819:29: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: - 1819 | t796 = t312**2 - | ^ -Warning: 't312' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:91: + 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 + | ^ +Warning: 't311' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:75: - 1267 | t287, t288, t29, t291, t293, t294, t295, t297, t298, t3, t304, t305, t306, t309, t312, & - | ^~~~ -note: 't312' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1773:31: + 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & + | ^~~~ +note: 't311' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1157:51: - 1773 | t732 = t315*t142 - | ^ -Warning: 't315' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:10: + 1157 | t1591 = 0.1173333333e3_dp*t1589*t313 + | ^ +Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:88: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^~~~ -note: 't315' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1808:31: + 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & + | ^~~~ +note: 't313' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: - 1808 | t782 = t316*t305 - | ^ + 1569 | 0.5866666667e2_dp*t962*t949*t375 + | ^ Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:16: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:17: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^~~~ + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^~~~ note: 't316' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1796:31: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: - 1796 | t764 = t317*t254 - | ^ + 1569 | 0.5866666667e2_dp*t962*t949*t375 + | ^ Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:22: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:23: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^~~~ + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^~~~ note: 't317' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1779:31: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1160:43: - 1779 | t743 = t320*t202 - | ^ -Warning: 't320' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:33: + 1160 | t1596 = 0.320e2_dp*t605*t318 + | ^ +Warning: 't318' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:29: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^~~~ -note: 't320' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1856:88: + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^~~~ +note: 't318' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: - 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc - | ^ + 1569 | 0.5866666667e2_dp*t962*t949*t375 + | ^ Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:39: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:42: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^~~~ + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^~~~ note: 't321' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1793:31: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1168:50: - 1793 | t762 = t322*t254 - | ^ + 1168 | t1607 = 0.1066666667e2_dp*t339*t322 + | ^ Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:45: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:48: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^~~~ + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^~~~ note: 't322' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1856:88: - - 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc - | ^ -Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:51: - - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^~~~ -note: 't323' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1856:88: - - 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc - | ^ -Warning: 't324' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:57: - - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^~~~ -note: 't324' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: - - 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ -Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:63: - - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^~~~ -note: 't325' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1856:88: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:868:30: - 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc - | ^ + 868 | t953 = t97*t326 + | ^ Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:69: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:75: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^~~~ + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^~~~ note: 't326' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1842:31: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1559:85: - 1842 | t825 = t732*t327 - | ^ + 1559 | - 0.20e1_dp*t102*t105*t2569 - 0.6400000001e2_dp*t321*t953*t979 + | ^ Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:75: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:17: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^~~~ + 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 + | ^~~~ note: 't327' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1856:88: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: - 1856 | + t712 + 0.2e1_dp*t326 + 0.80e1_dp*t328 + t715)*sc - | ^ + 1569 | 0.5866666667e2_dp*t962*t949*t375 + | ^ Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:81: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:30: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^~~~ + 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 + | ^~~~ note: 't328' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1173:42: - 1816 | + t259 + t715 + t321 + t323 - t325 + t326 + t329)*sc - | ^ + 1173 | t1615 = 0.80e1_dp*t112*t329 + | ^ Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:87: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:43: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^~~~ + 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 + | ^~~~ note: 't329' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2246:34: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1203:79: - 2246 | *t136*t1986 - | ^ + 1203 | t1667 = 0.28e2_dp/0.3e1_dp*t332 - 0.28e2_dp/0.3e1_dp*t987*my_rho + | ^ Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:93: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:77: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & - | ^~~~ + 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 + | ^~~~ note: 't332' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2163:75: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1189:49: - 2163 | t1626 - 0.1200e2_dp*t356*t340*t309 - 0.40e1_dp*t1668 - | ^ -Warning: 't333' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:10: + 1189 | t1638 = 0.1200000000e3_dp*t24*t336 + | ^ +Warning: 't336' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:329:73: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^~~~ -note: 't333' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2211:32: + 329 | REAL(KIND=dp) :: t3339, t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, & + | ^~~~ +note: 't336' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1168:50: - 2211 | t1872 = t143*t337 - | ^ -Warning: 't337' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:16: + 1168 | t1607 = 0.1066666667e2_dp*t339*t322 + | ^ +Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:31: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^~~~ -note: 't337' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2228:29: + 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & + | ^~~~ +note: 't339' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: - 2228 | *t1094 - | ^ -Warning: 't338' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:22: + 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 + | ^ +Warning: 't341' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:37: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^~~~ -note: 't338' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2173:64: + 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & + | ^~~~ +note: 't341' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 2173 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 - | ^ -Warning: 't340' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:33: + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:43: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^~~~ -note: 't340' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2246:34: + 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & + | ^~~~ +note: 't342' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1194:51: - 2246 | *t136*t1986 - | ^ + 1194 | t1647 = 0.5600000000e2_dp*t1645*t343 + | ^ Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:39: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:49: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^~~~ + 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & + | ^~~~ note: 't343' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1949:28: - - 1949 | t1096 - | ^ -Warning: 't344' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:45: - - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^~~~ -note: 't344' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2132:34: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1195:51: - 2132 | *t136*t1639 - | ^ + 1195 | t1649 = 0.1200000000e3_dp*t1589*t347 + | ^ Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:51: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:330:69: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^~~~ + 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & + | ^~~~ note: 't347' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1951:32: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: - 1951 | t1110 = t350*t142 - | ^ + 1551 | *t2565*t796 + | ^ Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:57: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:22: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^~~~ + 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & + | ^~~~ note: 't350' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1960:32: - - 1960 | t1137 = t351*t305 - | ^ -Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:63: - - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^~~~ -note: 't351' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2223:58: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1198:51: - 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 - | ^ + 1198 | t1656 = 0.8000000000e1_dp*t1429*t352 + | ^ Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:69: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:70: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^~~~ + 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & + | ^~~~ note: 't352' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2031:32: - - 2031 | t1363 = t353*t254 - | ^ -Warning: 't353' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:24: - - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^~~~ -note: 't353' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2151:32: - - 2151 | t1697 = t315*t355 - | ^ -Warning: 't355' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:30: - - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^~~~ -note: 't355' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2163:75: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:906:35: - 2163 | t1626 - 0.1200e2_dp*t356*t340*t309 - 0.40e1_dp*t1668 - | ^ + 906 | t1002*my_rho + | ^ Warning: 't356' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:36: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:38: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^~~~ + 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & + | ^~~~ note: 't356' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2094:32: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: - 2094 | t1578 = t357*t254 - | ^ + 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 + | ^ Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:42: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:58: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^~~~ + 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & + | ^~~~ note: 't357' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2096:32: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: - 2096 | t1582 = t359*t254 - | ^ -Warning: 't359' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:48: + 1551 | *t2565*t796 + | ^ +Warning: 't360' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:10: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^~~~ -note: 't359' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2030:32: + 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & + | ^~~~ +note: 't360' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1202:42: - 2030 | t1361 = t362*t202 - | ^ + 1202 | t1664 = 0.60e1_dp*t550*t362 + | ^ Warning: 't362' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:54: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:30: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^~~~ + 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & + | ^~~~ note: 't362' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - - 2120 | + t842 - t1609 - | ^ -Warning: 't363' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:60: - - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^~~~ -note: 't363' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - - 2120 | + t842 - t1609 - | ^ -Warning: 't364' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:66: - - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^~~~ -note: 't364' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2186:60: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: - 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 - | ^ + 1551 | *t2565*t796 + | ^ Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:72: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:36: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^~~~ + 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & + | ^~~~ note: 't365' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2035:38: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: - 2035 | t1372 = t366*t212*t1371 - | ^ + 1551 | *t2565*t796 + | ^ Warning: 't366' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:78: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:42: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^~~~ + 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & + | ^~~~ note: 't366' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1872:31: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:863:31: - 1872 | t875 = t367*t874 + 863 | t942 = t367*t306 | ^ Warning: 't367' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:84: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:55: - 1270 | REAL(KIND=dp) :: t353, t355, t356, t357, t359, t362, t363, t364, t365, t366, t367, t368, & - | ^~~~ + 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & + | ^~~~ note: 't367' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1865:40: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: - 1865 | t864 = 0.1e1_dp/t370/t130 - | ^ -Warning: 't370' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:21: + 1551 | *t2565*t796 + | ^ +Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:89: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^~~~ -note: 't370' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2233:29: + 333 | t360, t3608, t3618, t362, t365, t366, t3668, t367, t3673, t3674, t3677, t3679, t368, & + | ^~~~ +note: 't368' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: - 2233 | *t1776 - | ^ + 1551 | *t2565*t796 + | ^ Warning: 't371' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:27: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:22: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^~~~ + 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & + | ^~~~ note: 't371' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2034:32: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1201:48: - 2034 | t1371 = t372*t217 - | ^ + 1201 | t1662 = 0.3200000000e2_dp*t7*t372 + | ^ Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:33: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:35: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^~~~ + 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & + | ^~~~ note: 't372' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: - 1938 | *bp*t1020*t984*t1027 - | ^ + 1569 | 0.5866666667e2_dp*t962*t949*t375 + | ^ Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:45: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:48: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^~~~ + 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & + | ^~~~ note: 't375' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1184:42: - 1938 | *bp*t1020*t984*t1027 - | ^ + 1184 | t1630 = 0.40e1_dp*t112*t376 + | ^ Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:51: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:61: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^~~~ + 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & + | ^~~~ note: 't376' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2038:32: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: - 2038 | t1380 = t379*t217 - | ^ + 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 + | ^ Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:57: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:74: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^~~~ + 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & + | ^~~~ note: 't379' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29: - 1938 | *bp*t1020*t984*t1027 - | ^ + 1063 | *t1397 + | ^ +Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:94: + + 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & + | ^~~~ +note: 't380' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1580:69: + + 1580 | *t55*t1082 - 0.1000000001e1_dp*t165*t2631*t237 + | ^ Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:68: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:335:24: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^~~~ + 335 | t3826, t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869 + | ^~~~ note: 't383' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1737:66: - 1938 | *bp*t1020*t984*t1027 - | ^ + 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 + | ^ Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:74: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:335:30: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^~~~ + 335 | t3826, t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869 + | ^~~~ note: 't384' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1879:31: - - 1879 | t893 = t385*t164 - | ^ -Warning: 't385' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:80: - - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^~~~ -note: 't385' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1882:49: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29: - 1882 | t903 = 0.1211413728e1_dp*t388*t873 - | ^ -Warning: 't388' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:86: + 1063 | *t1397 + | ^ +Warning: 't387' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:24: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^~~~ -note: 't388' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: + 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & + | ^~~~ +note: 't387' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1647:57: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:92: + 1647 | - 0.5000000001e0_dp*t429*t437*t914 + | ^ +Warning: 't392' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:58: - 1271 | t369, t37, t370, t371, t372, t373, t375, t376, t379, t38, t383, t384, t385, t388, t389, & - | ^~~~ -note: 't389' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2052:47: + 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & + | ^~~~ +note: 't392' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1610:40: - 2052 | *t560*t1394 - t239*t1404 - | ^ + 1610 | *t2763*t446*t2779 + | ^ Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:27: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:71: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^~~~ + 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & + | ^~~~ note: 't393' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1886:62: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1595:104: - 1886 | *t394*t874 - 0.9531842928e0_dp*t161*t887 - | ^ + 1595 | *t394) + 0.5000000001e0_dp*t165*t2720*t237 + | ^ Warning: 't394' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:33: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:336:91: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^~~~ + 336 | REAL(KIND=dp) :: t387, t3871, t3875, t3892, t3918, t392, t3925, t393, t3933, t3939, t394, & + | ^~~~ note: 't394' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1036:33: - 1938 | *bp*t1020*t984*t1027 - | ^ + 1036 | t1367 = omega*t398 + | ^ +Warning: 't398' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:45: + + 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & + | ^~~~ +note: 't398' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1328:32: + + 1328 | t1912 = t399*t245 + | ^ Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:39: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:58: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^~~~ + 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & + | ^~~~ note: 't399' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1524:40: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:54: + 1524 | *t1368*t166*t2160 + | ^ +Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:73: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^~~~ -note: 't402' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: + 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & + | ^~~~ +note: 't400' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1622:39: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:60: + 1622 | *t400*t401*t2230 + | ^ +Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:337:79: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^~~~ -note: 't403' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: + 337 | t3940, t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, & + | ^~~~ +note: 't401' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1524:40: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:66: + 1524 | *t1368*t166*t2160 + | ^ +Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:24: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^~~~ -note: 't406' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: + 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & + | ^~~~ +note: 't405' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1634:65: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't407' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:72: + 1634 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237 + | ^ +Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:30: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^~~~ -note: 't407' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: + 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & + | ^~~~ +note: 't406' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:78: + 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 + | ^ +Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:69: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^~~~ -note: 't408' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: + 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & + | ^~~~ +note: 't413' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1634:65: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't409' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:84: + 1634 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237 + | ^ +Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:338:89: - 1272 | t39, t390, t392, t393, t394, t399, t4, t40, t402, t403, t406, t407, t408, t409, t415, & - | ^~~~ -note: 't409' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: + 338 | t4025, t4032, t405, t406, t4070, t4079, t41, t4101, t4108, t413, t4140, t4156, t417, t42, & + | ^~~~ +note: 't417' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1647:57: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't416' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:10: + 1647 | - 0.5000000001e0_dp*t429*t437*t914 + | ^ +Warning: 't424' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:31: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^~~~ -note: 't416' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: + 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & + | ^~~~ +note: 't424' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1308:55: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:16: + 1308 | t1861 = 0.1800000000e2_dp*t658*t575*t425 + | ^ +Warning: 't425' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:37: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^~~~ -note: 't417' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: + 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & + | ^~~~ +note: 't425' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1635:33: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't421' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:33: + 1635 | t2885 = t428*t1372 + | ^ +Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:71: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^~~~ -note: 't421' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1907:30: + 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & + | ^~~~ +note: 't428' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1737:66: - 1907 | t1019 = t427**2 - | ^ -Warning: 't427' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:45: + 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 + | ^ +Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:77: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^~~~ -note: 't427' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: + 339 | t4201, t4214, t4230, t424, t425, t4255, t4256, t4261, t4272, t428, t429, t4292, t43, & + | ^~~~ +note: 't429' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1647:57: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't430' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:57: + 1647 | - 0.5000000001e0_dp*t429*t437*t914 + | ^ +Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:17: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^~~~ -note: 't430' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: + 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & + | ^~~~ +note: 't433' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't431' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:63: + 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 + | ^ +Warning: 't437' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:37: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^~~~ -note: 't431' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1910:43: + 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & + | ^~~~ +note: 't437' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1598:33: - 1910 | t1027 = t865/t432/t178*t1025 - | ^ -Warning: 't432' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:69: + 1598 | t2763 = t1367*t444 + | ^ +Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:69: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & | ^~~~ -note: 't432' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1906:32: +note: 't444' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1647:57: - 1906 | t1013 = t874*t434 - | ^ -Warning: 't434' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:75: + 1647 | - 0.5000000001e0_dp*t429*t437*t914 + | ^ +Warning: 't445' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:75: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & + 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & | ^~~~ -note: 't434' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1897:39: +note: 't445' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1610:40: - 1897 | *t896 - t189*t914 - | ^ -Warning: 't439' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:87: + 1610 | *t2763*t446*t2779 + | ^ +Warning: 't446' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:340:81: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^~~~ -note: 't439' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1897:39: + 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & + | ^~~~ +note: 't446' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1053:28: - 1897 | *t896 - t189*t914 - | ^ -Warning: 't440' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:93: + 1053 | *t237 + | ^ +Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:22: - 1273 | t416, t417, t418, t42, t421, t424, t427, t429, t430, t431, t432, t434, t435, t439, t440, & - | ^~~~ -note: 't440' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1889:31: + 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & + | ^~~~ +note: 't450' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: - 1889 | t945 = t443*t873 - | ^ -Warning: 't443' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:10: + 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 + | ^ +Warning: 't451' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:35: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^~~~ -note: 't443' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: + 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & + | ^~~~ +note: 't451' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1053:28: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:16: + 1053 | *t237 + | ^ +Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:55: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^~~~ -note: 't444' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: + 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & + | ^~~~ +note: 't455' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1610:40: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't447' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:22: + 1610 | *t2763*t446*t2779 + | ^ +Warning: 't462' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:341:94: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^~~~ -note: 't447' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1897:39: + 341 | t4498, t45, t450, t4505, t451, t4512, t4545, t455, t4553, t4575, t4585, t46, t4607, t462, & + | ^~~~ +note: 't462' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1595:104: - 1897 | *t896 - t189*t914 - | ^ -Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:33: + 1595 | *t394) + 0.5000000001e0_dp*t165*t2720*t237 + | ^ +Warning: 't466' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:342:24: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^~~~ -note: 't450' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: + 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707 + | ^~~~ +note: 't466' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1018:40: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't454' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:39: + 1018 | t1300 = 0.1e1_dp/t41/t470 + | ^ +Warning: 't470' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:342:42: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^~~~ -note: 't454' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: + 342 | t4627, t4657, t466, t4696, t47, t470, t4700, t4701, t4704, t4707 + | ^~~~ +note: 't470' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1427:30: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:45: + 1427 | t2117 = t471*pi + | ^ +Warning: 't471' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:343:31: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^~~~ -note: 't455' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: + 343 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, & + | ^~~~ +note: 't471' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1287:32: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:51: + 1287 | t1821 = t472*t262 + | ^ +Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:343:58: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^~~~ -note: 't457' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: + 343 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, & + | ^~~~ +note: 't472' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't458' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:57: + 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 + | ^ +Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:343:92: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^~~~ -note: 't458' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: + 343 | REAL(KIND=dp) :: t4708, t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, & + | ^~~~ +note: 't473' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1659:33: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't459' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:63: + 1659 | t1176*t804 + | ^ +Warning: 't474' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:344:52: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^~~~ -note: 't459' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: + 344 | t4732, t4733, t4734, t4736, t4738, t4739, t474, t4743, t4744, t4748, t4760, t4764, t4768, & + | ^~~~ +note: 't474' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:69: + 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 + | ^ +Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:345:45: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^~~~ -note: 't463' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: + 345 | t4769, t4770, t4771, t4772, t4776, t478, t4782, t4786, t4789, t479, t4790, t4793, t4796, & + | ^~~~ +note: 't478' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1659:33: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:75: + 1659 | t1176*t804 + | ^ +Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:345:72: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^~~~ -note: 't464' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: + 345 | t4769, t4770, t4771, t4772, t4776, t478, t4782, t4786, t4789, t479, t4790, t4793, t4796, & + | ^~~~ +note: 't479' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't467' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:81: + 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 + | ^ +Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:348:38: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^~~~ -note: 't467' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: + 348 | t4881, t4884, t4887, t4889, t489, t4893, t4895, t4897, t4898, t49, t4901, t4904, t4905, & + | ^~~~ +note: 't489' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:87: + 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 + | ^ +Warning: 't496' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:31: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^~~~ -note: 't472' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: + 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & + | ^~~~ +note: 't496' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1679:69: - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:93: + 1679 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201 + | ^ +Warning: 't498' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:37: - 1274 | t443, t444, t447, t45, t450, t454, t455, t457, t458, t459, t463, t464, t467, t472, t473, & - | ^~~~ -note: 't473' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2166:32: + 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & + | ^~~~ +note: 't498' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:941:31: - 2166 | t1765 = t320*t479 - | ^ -Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:10: + 941 | t1106 = t500*t67 + | ^ +Warning: 't500' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:351:62: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^~~~ -note: 't479' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1860:35: + 351 | t4952, t4955, t4958, t496, t498, t4994, t4995, t50, t500, t5001, t5002, t5005, t5008, & + | ^~~~ +note: 't500' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1701:64: - 1860 | t842 = 0.3e1_dp*t480 - | ^ -Warning: 't480' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:16: + 1701 | *t2622*t71 - 0.1666666668e0_dp*t1106*t886 + | ^ +Warning: 't503' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:352:73: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^~~~ -note: 't480' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2093:32: + 352 | t5009, t5011, t5013, t5016, t5019, t5022, t5025, t5028, t5029, t503, t5032, t5035, t5036, & + | ^~~~ +note: 't503' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: - 2093 | t1576 = t481*t254 + 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 + | ^ +Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:353:80: + + 353 | t5040, t5043, t5044, t5047, t5050, t5051, t5060, t5065, t5069, t5079, t508, t5083, t5087, & + | ^~~~ +note: 't508' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:985:32: + + 985 | t1213 = t511*t225 | ^ -Warning: 't481' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:22: +Warning: 't511' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:24: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^~~~ -note: 't481' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: + 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, & + | ^~~~ +note: 't511' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't482' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:28: + 1692 | *t503*t2312 + | ^ +Warning: 't512' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:44: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^~~~ -note: 't482' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2110:105: + 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, & + | ^~~~ +note: 't512' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't483' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:34: + 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 + | ^ +Warning: 't515' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:92: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^~~~ -note: 't483' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: + 354 | t5106, t5108, t511, t5115, t5118, t512, t5122, t5123, t5126, t5139, t5143, t5147, t515, & + | ^~~~ +note: 't515' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't484' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:40: + 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 + | ^ +Warning: 't516' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:355:10: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^~~~ -note: 't484' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: + 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, & + | ^~~~ +note: 't516' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't485' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:46: + 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 + | ^ +Warning: 't517' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:355:23: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^~~~ -note: 't485' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: + 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, & + | ^~~~ +note: 't517' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:52: + 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 + | ^ +Warning: 't520' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:355:43: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^~~~ -note: 't486' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2110:105: + 355 | t516, t5163, t517, t5170, t5174, t520, t5226, t5228, t5229, t5237, t5244, t5247, t5251, & + | ^~~~ +note: 't520' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1701:64: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't487' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:58: + 1701 | *t2622*t71 - 0.1666666668e0_dp*t1106*t886 + | ^ +Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:356:17: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^~~~ -note: 't487' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: + 356 | t5256, t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284 + | ^~~~ +note: 't526' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34: - 2120 | + t842 - t1609 - | ^ -Warning: 't488' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:64: + 1692 | *t503*t2312 + | ^ +Warning: 't527' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:356:30: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^~~~ -note: 't488' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2110:105: + 356 | t5256, t526, t5262, t527, t5270, t5271, t5276, t5280, t5281, t5284 + | ^~~~ +note: 't527' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:70: + 1692 | *t503*t2312 + | ^ +Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:357:57: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^~~~ -note: 't489' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: + 357 | REAL(KIND=dp) :: t5291, t5294, t5295, t5298, t53, t530, t5301, t5303, t5305, t5308, t531, & + | ^~~~ +note: 't530' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34: - 2120 | + t842 - t1609 - | ^ -Warning: 't490' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:81: + 1692 | *t503*t2312 + | ^ +Warning: 't531' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:357:91: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^~~~ -note: 't490' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: + 357 | REAL(KIND=dp) :: t5291, t5294, t5295, t5298, t53, t530, t5301, t5303, t5305, t5308, t531, & + | ^~~~ +note: 't531' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1679:69: - 2120 | + t842 - t1609 - | ^ -Warning: 't491' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:87: + 1679 | *(t199)*(t2281) - 0.1851851853e0_dp*t508*t1201 + | ^ +Warning: 't534' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:358:94: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & + 358 | t5311, t5314, t5317, t5320, t5323, t5326, t5329, t5330, t5333, t5335, t5338, t5339, t534, & + | ^~~~ +note: 't534' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1726:80: + + 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 + | ^ +Warning: 't537' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:359:80: + + 359 | t5342, t5343, t5345, t5347, t5351, t5354, t5357, t5360, t5363, t5367, t537, t5370, t5371, & + | ^~~~ +note: 't537' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:930:31: + + 930 | t1071 = t45*t541 + | ^ +Warning: 't541' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:360:87: + + 360 | t5373, t5376, t5379, t5383, t5386, t5389, t5397, t5400, t5402, t5406, t5409, t541, t5412, & | ^~~~ -note: 't491' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2186:60: +note: 't541' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1202:42: - 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 - | ^ -Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:93: + 1202 | t1664 = 0.60e1_dp*t550*t362 + | ^ +Warning: 't550' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:364:29: - 1275 | t479, t480, t481, t482, t483, t484, t485, t486, t487, t488, t489, t49, t490, t491, t492, & - | ^~~~ -note: 't492' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2036:32: + 364 | REAL(KIND=dp) :: t55, t550, t5503, t5507, t5509, t551, t5511, t5516, t5523, t5525, t5528, & + | ^~~~ +note: 't550' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1185:32: - 2036 | t1374 = t493*t874 + 1185 | t1631 = t375*t557 | ^ -Warning: 't493' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:10: +Warning: 't557' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:366:38: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^~~~ -note: 't493' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: + 366 | t5562, t5564, t5565, t5568, t557, t5572, t5574, t5575, t5579, t558, t5581, t5585, t5590, & + | ^~~~ +note: 't557' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't496' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:22: + 2260 | *t105*t5118 + | ^ +Warning: 't558' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:366:72: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^~~~ -note: 't496' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: + 366 | t5562, t5564, t5565, t5568, t557, t5572, t5574, t5575, t5579, t558, t5581, t5585, t5590, & + | ^~~~ +note: 't558' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1357:32: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't497' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:28: + 1357 | t1973 = t561*t149 + | ^ +Warning: 't561' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:367:64: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^~~~ -note: 't497' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: + 367 | t5593, t5595, t5597, t56, t5600, t5602, t5604, t5607, t561, t5610, t5611, t5613, t5619, & + | ^~~~ +note: 't561' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1396:80: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't503' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:38: + 1396 | + t1482 + t1479 - t1489 + 0.3333333334e0_dp*t55*t57*t2042 + | ^ +Warning: 't567' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:369:51: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^~~~ -note: 't503' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: + 369 | t5657, t566, t5660, t5663, t5666, t5667, t567, t5670, t5671, t5673, t5676, t5679, t5682, & + | ^~~~ +note: 't567' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1396:80: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't504' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:44: + 1396 | + t1482 + t1479 - t1489 + 0.3333333334e0_dp*t55*t57*t2042 + | ^ +Warning: 't569' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:370:24: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^~~~ -note: 't504' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2042:32: + 370 | t5686, t5689, t569, t5692, t5695, t5696, t5698, t5699, t57, t5701, t5705 + | ^~~~ +note: 't569' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1415:39: - 2042 | t1391 = t505*t217 + 1415 | t2081*t575*t2082 + | ^ +Warning: 't575' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:372:31: + + 372 | t5742, t5745, t5749, t575, t5752, t5756, t5760, t5767, t5770, t5773, t5776, t5780, t5783, & + | ^~~~ +note: 't575' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1272:32: + + 1272 | t1785 = t579*t515 | ^ -Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:50: +Warning: 't579' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:373:24: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^~~~ -note: 't505' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2045:63: + 373 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & + | ^~~~ +note: 't579' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1351:34: - 2045 | *t508*t874 - 0.9531842928e0_dp*t214*t887 - | ^ -Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:56: + 1351 | t1962 = t585*my_rho + | ^ +Warning: 't585' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:374:94: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^~~~ -note: 't508' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: + 374 | t5819, t5822, t5825, t5828, t5830, t5831, t5833, t5835, t5838, t5841, t5845, t5848, t585, & + | ^~~~ +note: 't585' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1074:59: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:67: + 1074 | t1417 = 0.6666666672e0_dp*t217*t46*t589*t237 + | ^ +Warning: 't589' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:375:94: - 1276 | t493, t494, t496, t497, t5, t503, t504, t505, t508, t51, t513 - | ^~~~ -note: 't513' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: + 375 | t5850, t5854, t5857, t5861, t5864, t5868, t5869, t5875, t5880, t5881, t5885, t5888, t589, & + | ^~~~ +note: 't589' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1069:50: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't516' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:24: + 1069 | t1408 = 0.4444444448e0_dp*t214*t590 + | ^ +Warning: 't590' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:376:29: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & + 376 | t5891, t5898, t59, t590, t5902, t5905, t5908, t5911, t5913, t5918, t5922, t5925, t5926, & + | ^~~~ +note: 't590' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1364:56: + + 1364 | t1987 = 0.8333333335e-1_dp*t429*t437*t593 + | ^ +Warning: 't593' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:377:17: + + 377 | t5929, t593, t5932, t5938, t5940, t5942, t5944, t5949, t5952 + | ^~~~ +note: 't593' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1136:55: + + 1136 | t1552 = 0.1666666668e0_dp*t289*t597*t290 + | ^ +Warning: 't597' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:378:73: + + 378 | REAL(KIND=dp) :: t5954, t5956, t5958, t5960, t5963, t5964, t5966, t597, t5971, t5973, t5975, & + | ^~~~ +note: 't597' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1131:49: + + 1131 | t1543 = 0.3333333336e0_dp*t55*t598 + | ^ +Warning: 't598' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:379:24: + + 379 | t5977, t5978, t598, t5985, t5990, t5994, t5996, t6, t60, t6000, t6002, t6004, t6006, & | ^~~~ -note: 't516' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: +note: 't598' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1160:43: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't517' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:30: + 1160 | t1596 = 0.320e2_dp*t605*t318 + | ^ +Warning: 't605' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:381:31: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^~~~ -note: 't517' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: + 381 | t6044, t6047, t6049, t605, t6052, t6053, t6056, t6058, t6060, t6063, t6066, t6074, t6075, & + | ^~~~ +note: 't605' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1158:32: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't520' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:36: + 1158 | t1592 = t949*t608 + | ^ +Warning: 't608' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:382:24: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^~~~ -note: 't520' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: + 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & + | ^~~~ +note: 't608' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't521' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:42: + 2260 | *t105*t5118 + | ^ +Warning: 't609' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:382:37: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^~~~ -note: 't521' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: + 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & + | ^~~~ +note: 't609' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1169:32: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't522' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:48: + 1169 | t1608 = t953*t614 + | ^ +Warning: 't614' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:383:73: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^~~~ -note: 't522' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: + 383 | t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & + | ^~~~ +note: 't614' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:60: + 2260 | *t105*t5118 + | ^ +Warning: 't615' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:383:93: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^~~~ -note: 't529' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: + 383 | t6112, t6116, t6119, t6123, t6126, t6129, t6132, t6136, t6138, t614, t6141, t6144, t615, & + | ^~~~ +note: 't615' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1188:50: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:66: + 1188 | t1636 = 0.5600000000e2_dp*t624*t115 + | ^ +Warning: 't624' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:386:38: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^~~~ -note: 't530' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: + 386 | t6219, t6222, t6223, t6227, t624, t6247, t6249, t6252, t6253, t6256, t6257, t6260, t6263, & + | ^~~~ +note: 't624' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2386:51: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't534' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:78: + 2386 | t5480 = 0.1760000000e3_dp*t5060*t627 + | ^ +Warning: 't627' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:387:24: - 1277 | REAL(KIND=dp) :: t516, t517, t520, t521, t522, t528, t529, t530, t531, t534, t537, t54, & - | ^~~~ -note: 't534' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2061:30: + 387 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, & + | ^~~~ +note: 't627' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: - 2061 | t1516 = t540**2 - | ^ -Warning: 't540' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:10: + 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 + | ^ +Warning: 't628' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:387:37: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^~~~ -note: 't540' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: + 387 | t6267, t6268, t627, t6271, t628, t6281, t6283, t6290, t6291, t63, t6308, t6338, t6339, & + | ^~~~ +note: 't628' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1207:37: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't543' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:22: + 1207 | t1677 = t368*t635*t371 + | ^ +Warning: 't635' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:17: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^~~~ -note: 't543' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: + 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & + | ^~~~ +note: 't635' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: - 2091 | t859*t1493 + 0.5132002385e0_dp*ba*t1517*t984*t1524 - | ^ -Warning: 't544' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:28: + 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 + | ^ +Warning: 't637' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:44: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^~~~ -note: 't544' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2064:43: + 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & + | ^~~~ +note: 't637' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1398:32: - 2064 | t1524 = t865/t545/t230*t1522 - | ^ -Warning: 't545' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:34: + 1398 | t2054 = t786*t640 + | ^ +Warning: 't640' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:388:85: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^~~~ -note: 't545' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2060:32: + 388 | t6344, t635, t6352, t6363, t6367, t637, t6370, t6373, t6375, t6380, t6389, t640, t6400, & + | ^~~~ +note: 't640' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1178:32: - 2060 | t1510 = t874*t547 + 1178 | t1621 = t645*t233 | ^ -Warning: 't547' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:40: +Warning: 't645' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:38: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^~~~ -note: 't547' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2052:47: + 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & + | ^~~~ +note: 't645' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2260:34: - 2052 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't552' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:57: + 2260 | *t105*t5118 + | ^ +Warning: 't646' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:51: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^~~~ -note: 't552' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2052:47: + 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & + | ^~~~ +note: 't646' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1316:55: - 2052 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't553' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:63: + 1316 | t1881 = 0.1666666667e0_dp*t165*t437*t649 + | ^ +Warning: 't649' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:389:71: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^~~~ -note: 't553' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2052:47: + 389 | t6415, t6428, t6433, t6442, t645, t6451, t646, t6461, t6479, t649, t6490, t6499, t65, & + | ^~~~ +note: 't649' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1132:49: - 2052 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't560' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:74: + 1132 | t1545 = 0.3333333336e0_dp*t55*t650 + | ^ +Warning: 't650' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:10: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^~~~ -note: 't560' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: + 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & + | ^~~~ +note: 't650' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1219:49: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't564' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:80: + 1219 | t1693 = 0.3333333336e0_dp*t55*t653 + | ^ +Warning: 't653' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:30: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^~~~ -note: 't564' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: + 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & + | ^~~~ +note: 't653' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1415:39: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't565' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:86: + 1415 | t2081*t575*t2082 + | ^ +Warning: 't658' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:390:70: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^~~~ -note: 't565' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: + 390 | t650, t6509, t6529, t653, t6539, t6554, t6557, t6569, t657, t658, t6583, t6596, t66, & + | ^~~~ +note: 't658' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1368:55: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't567' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:92: + 1368 | t1997 = 0.1666666667e0_dp*t165*t171*t668 + | ^ +Warning: 't668' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:391:73: - 1278 | t540, t542, t543, t544, t545, t547, t548, t55, t552, t553, t56, t560, t564, t565, t567, & - | ^~~~ -note: 't567' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: + 391 | t6603, t6611, t6620, t6621, t6630, t6640, t6658, t6665, t6669, t668 + | ^~~~ +note: 't668' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1312:39: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't568' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:10: + 1312 | t1871 = 2*t147*t393*t672 + | ^ +Warning: 't672' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:29: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^~~~ -note: 't568' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^~~~ +note: 't672' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2306:68: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't569' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:16: + 2306 | *t462*t4729 + 0.3333333334e0_dp*t55*t57*t5276 + | ^ +Warning: 't673' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:35: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^~~~ -note: 't569' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^~~~ +note: 't673' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1305:56: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't573' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:27: + 1305 | t1852 = 0.8333333335e-1_dp*t429*t679*t290 + | ^ +Warning: 't679' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:41: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^~~~ -note: 't573' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^~~~ +note: 't679' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1313:54: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't574' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:33: + 1313 | t1874 = 0.3333333334e0_dp*t170*t689*t25 + | ^ +Warning: 't689' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:52: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^~~~ -note: 't574' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^~~~ +note: 't689' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1234:32: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't577' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:39: + 1234 | t1718 = t705*t266 + | ^ +Warning: 't705' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:72: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^~~~ -note: 't577' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^~~~ +note: 't705' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1428:33: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't582' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:45: + 1428 | t2118 = t707*t2117 + | ^ +Warning: 't707' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:78: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^~~~ -note: 't582' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^~~~ +note: 't707' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1424:54: - 2075 | t1493 + 0.2566001193e0_dp*t80*t1517*t984*t1524 - | ^ -Warning: 't583' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:51: + 1424 | + t1752 - t1754 - t1757 - t1760 + | ^ +Warning: 't708' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:84: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^~~~ -note: 't583' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2169:32: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^~~~ +note: 't708' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1419:32: - 2169 | t1776 = t317*t591 + 1419 | t2099 = t709*t237 | ^ -Warning: 't591' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:57: +Warning: 't709' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:90: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^~~~ -note: 't591' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1861:35: + 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & + | ^~~~ +note: 't709' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1278:51: - 1861 | t851 = 0.3e1_dp*t592 - | ^ -Warning: 't592' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:63: + 1278 | t1797 = 0.8999999998e1_dp*t1795*t710 + | ^ +Warning: 't710' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:15: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^~~~ -note: 't592' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^~~~ +note: 't710' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1232:31: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't593' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:69: + 1232 | t1715 = t713*t67 + | ^ +Warning: 't713' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:21: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^~~~ -note: 't593' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2110:105: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^~~~ +note: 't713' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1424:54: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't594' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:75: + 1424 | + t1752 - t1754 - t1757 - t1760 + | ^ +Warning: 't716' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:27: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^~~~ -note: 't594' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^~~~ +note: 't716' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1250:50: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't595' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:81: + 1250 | t1752 = 0.1851851853e0_dp*t719*t512 + | ^ +Warning: 't719' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:33: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^~~~ -note: 't595' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^~~~ +note: 't719' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1244:36: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't596' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:87: + 1244 | t1737 = t722*t561*t65 + | ^ +Warning: 't722' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:39: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^~~~ -note: 't596' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^~~~ +note: 't722' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1276:51: - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't597' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:93: + 1276 | t1794 = 0.1000000001e1_dp*t723*t1712 + | ^ +Warning: 't723' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:45: - 1279 | t568, t569, t57, t573, t574, t577, t582, t583, t591, t592, t593, t594, t595, t596, t597, & - | ^~~~ -note: 't597' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2158:80: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^~~~ +note: 't723' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1270:32: - 2158 | + 0.2e1_dp*t1580 - 0.40e1_dp*t1582 + 0.80e1_dp*t1671*t257 - | ^ -Warning: 't598' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:10: + 1270 | t1782 = t728*t267 + | ^ +Warning: 't728' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:51: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^~~~ -note: 't598' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2110:105: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^~~~ +note: 't728' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1274:51: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't599' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:16: + 1274 | t1789 = 0.5555555558e-1_dp*t508*t729 + | ^ +Warning: 't729' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:57: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^~~~ -note: 't599' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^~~~ +note: 't729' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1231:51: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't600' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:31: + 1231 | t1714 = 0.5000000001e0_dp*t732*t1712 + | ^ +Warning: 't732' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:63: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^~~~ -note: 't600' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2123:42: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^~~~ +note: 't732' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1353:31: - 2123 | t1615 = 0.80e1_dp*t732*t601 - | ^ -Warning: 't601' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:37: + 1353 | t1966 = t56*t735 + | ^ +Warning: 't735' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:69: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^~~~ -note: 't601' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^~~~ +note: 't735' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1220:31: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't602' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:43: + 1220 | t1694 = t45*t739 + | ^ +Warning: 't739' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:75: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^~~~ -note: 't602' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^~~~ +note: 't739' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't603' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:49: + 1832 | *t3339 + | ^ +Warning: 't1000' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:273:86: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^~~~ -note: 't603' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2158:80: + 273 | REAL(KIND=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t1000, t1002, & + | ^~~~~ +note: 't1000' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 2158 | + 0.2e1_dp*t1580 - 0.40e1_dp*t1582 + 0.80e1_dp*t1671*t257 - | ^ -Warning: 't604' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:55: + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't1004' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:10: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^~~~ -note: 't604' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2110:105: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^~~~~ +note: 't1004' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 2110 | t1599)*t2)*sc - | ^ -Warning: 't605' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:61: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1008' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:17: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^~~~ -note: 't605' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^~~~~ +note: 't1008' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 2180 | - t484 + t1785 + t1786 + 0.4e1_dp*t485 + 0.160e2_dp*t602 - | ^ -Warning: 't606' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:67: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1012' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:24: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^~~~ -note: 't606' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1965:32: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^~~~~ +note: 't1012' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32: - 1965 | t1151 = t607*t874 + 1765 | t12*t1058 | ^ -Warning: 't607' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:73: +Warning: 't1014' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:31: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^~~~ -note: 't607' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^~~~~ +note: 't1014' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't610' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:90: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1021' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:51: - 1280 | t598, t599, t6, t60, t600, t601, t602, t603, t604, t605, t606, t607, t608, t61, t610, & - | ^~~~ -note: 't610' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^~~~~ +note: 't1021' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't611' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:10: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1024' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:58: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^~~~ -note: 't611' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^~~~~ +note: 't1024' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't617' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:16: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1026' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:65: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^~~~ -note: 't617' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^~~~~ +note: 't1026' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't618' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:22: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1030' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:78: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^~~~ -note: 't618' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1971:32: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^~~~~ +note: 't1030' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 1971 | t1168 = t619*t269 - | ^ -Warning: 't619' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:28: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1034' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:274:92: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^~~~ -note: 't619' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1974:63: + 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & + | ^~~~~ +note: 't1034' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 1974 | *t622*t874 - 0.9531842928e0_dp*t266*t887 - | ^ -Warning: 't622' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:34: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1036' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:10: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^~~~ -note: 't622' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^~~~~ +note: 't1036' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't627' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:40: + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't1044' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:30: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^~~~ -note: 't627' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^~~~~ +note: 't1044' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't630' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:46: + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't1046' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:37: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^~~~ -note: 't630' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^~~~~ +note: 't1046' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't631' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:52: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1050' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:50: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^~~~ -note: 't631' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^~~~~ +note: 't1050' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't634' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:58: + 2726 | *t1054*t640*t3679 + | ^ +Warning: 't1054' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:57: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^~~~ -note: 't634' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^~~~~ +note: 't1054' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't635' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:64: + 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 + | ^ +Warning: 't1055' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:64: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^~~~ -note: 't635' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^~~~~ +note: 't1055' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't636' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:70: + 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 + | ^ +Warning: 't1058' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:275:78: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^~~~ -note: 't636' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: + 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & + | ^~~~~ +note: 't1058' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't643' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:87: + 2726 | *t1054*t640*t3679 + | ^ +Warning: 't1060' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:10: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^~~~ -note: 't643' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & + | ^~~~~ +note: 't1060' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't644' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:93: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't1063' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:17: - 1281 | t611, t617, t618, t619, t622, t627, t630, t631, t634, t635, t636, t64, t642, t643, t644, & - | ^~~~ -note: 't644' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & + | ^~~~~ +note: 't1063' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't648' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:16: + 1832 | *t3339 + | ^ +Warning: 't1064' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:24: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^~~~ -note: 't648' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1982:30: + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & + | ^~~~~ +note: 't1064' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1932:34: - 1982 | t1244 = t654**2 - | ^ -Warning: 't654' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:33: + 1932 | t1292*t1829 + | ^ +Warning: 't1067' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:31: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^~~~ -note: 't654' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & + | ^~~~~ +note: 't1067' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2322:56: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't657' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:45: + 2322 | t5320 = 0.3333333336e0_dp*t83*t1071*t4729 + | ^ +Warning: 't1071' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:51: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^~~~ -note: 't657' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & + | ^~~~~ +note: 't1071' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: - 2020 | *bf*t1245*t984*t1252 - t109*t1341*t122 - | ^ -Warning: 't658' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:51: + 2035 | *t1246*t3244*t1483 + | ^ +Warning: 't1085' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:85: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^~~~ -note: 't658' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1985:43: + 276 | t1060, t1063, t1064, t1067, t1068, t107, t1071, t1076, t1079, t108, t1082, t1085, t1089, & + | ^~~~~ +note: 't1085' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 1985 | t1252 = t865/t659/t282*t1250 - | ^ -Warning: 't659' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:57: + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 + | ^ +Warning: 't1093' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:10: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^~~~ -note: 't659' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1981:32: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^~~~~ +note: 't1093' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: - 1981 | t1238 = t874*t661 - | ^ -Warning: 't661' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:63: + 1984 | t192*t68*t4256*t65 + | ^ +Warning: 't1097' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:17: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^~~~ -note: 't661' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1992:47: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^~~~~ +note: 't1097' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 1992 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't666' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:75: + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 + | ^ +Warning: 't1100' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:36: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^~~~ -note: 't666' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1992:47: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^~~~~ +note: 't1100' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: - 1992 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't667' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:81: + 1984 | t192*t68*t4256*t65 + | ^ +Warning: 't1101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:43: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^~~~ -note: 't667' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1992:47: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^~~~~ +note: 't1101' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: - 1992 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't674' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:87: + 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 + | ^ +Warning: 't1106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:50: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^~~~ -note: 't674' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^~~~~ +note: 't1106' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't678' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:93: + 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 + | ^ +Warning: 't1109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:57: - 1282 | t645, t648, t65, t651, t654, t656, t657, t658, t659, t661, t662, t666, t667, t674, t678, & - | ^~~~ -note: 't678' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^~~~~ +note: 't1109' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't679' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:10: + 1955 | *t58*t3796*t71 + | ^ +Warning: 't1111' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:64: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^~~~ -note: 't679' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^~~~~ +note: 't1111' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't681' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:21: + 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 + | ^ +Warning: 't1119' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:71: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^~~~ -note: 't681' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^~~~~ +note: 't1119' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't682' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:27: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't1122' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:84: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^~~~ -note: 't682' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^~~~~ +note: 't1122' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't683' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:33: + 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 + | ^ +Warning: 't1125' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:277:91: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^~~~ -note: 't683' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: + 277 | t1093, t1097, t1099, t11, t1100, t1101, t1106, t1109, t1111, t1119, t112, t1122, t1125, & + | ^~~~~ +note: 't1125' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't687' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:39: + 1955 | *t58*t3796*t71 + | ^ +Warning: 't1126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:10: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^~~~ -note: 't687' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^~~~~ +note: 't1126' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't688' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:45: + 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 + | ^ +Warning: 't1129' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:17: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^~~~ -note: 't688' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^~~~~ +note: 't1129' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't691' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:51: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't1134' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:24: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^~~~ -note: 't691' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^~~~~ +note: 't1134' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't696' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:57: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't1137' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:31: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^~~~ -note: 't696' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^~~~~ +note: 't1137' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2796:40: - 2004 | *t1221 + 0.2566001193e0_dp*t116*t1245*t984*t1252 - | ^ -Warning: 't697' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1283:63: + 2796 | t6596 = t5247*t1141*t4733 + | ^ +Warning: 't1141' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:51: - 1283 | t679, t68, t681, t682, t683, t687, t688, t691, t696, t697, t70 - | ^~~~ -note: 't697' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2150:32: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^~~~~ +note: 't1141' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: - 2150 | t1696 = t316*t704 - | ^ -Warning: 't704' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:24: + 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) + | ^ +Warning: 't1142' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:58: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^~~~ -note: 't704' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1862:35: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^~~~~ +note: 't1142' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2506:57: - 1862 | t857 = 0.3e1_dp*t705 - | ^ -Warning: 't705' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:30: + 2506 | t5801 = 0.3600000000e2_dp*t1143*t479*t5002 + | ^ +Warning: 't1143' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:65: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^~~~ -note: 't705' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2194:33: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^~~~~ +note: 't1143' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2529:57: - 2194 | *t725*t371 - | ^ -Warning: 't716' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:60: + 2529 | t5864 = 0.1800000000e2_dp*t473*t1150*t4729 + | ^ +Warning: 't1150' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:78: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^~~~ -note: 't716' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2194:33: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^~~~~ +note: 't1150' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29: - 2194 | *t725*t371 - | ^ -Warning: 't719' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:66: + 1976 | *t3382 + | ^ +Warning: 't1157' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:85: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^~~~ -note: 't719' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2194:33: + 278 | t1126, t1129, t1134, t1137, t114, t1140, t1141, t1142, t1143, t115, t1150, t1157, t116, & + | ^~~~~ +note: 't1157' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: - 2194 | *t725*t371 - | ^ -Warning: 't722' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:72: + 1966 | *t478*t183*t3918 + | ^ +Warning: 't1161' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:10: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^~~~ -note: 't722' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2194:33: + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 + | ^~~~~ +note: 't1161' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: - 2194 | *t725*t371 - | ^ -Warning: 't725' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:78: + 2035 | *t1246*t3244*t1483 + | ^ +Warning: 't1168' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:17: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^~~~ -note: 't725' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2141:32: + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 + | ^~~~~ +note: 't1168' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: - 2141 | t1671 = t728*t142 - | ^ -Warning: 't728' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:84: + 2035 | *t1246*t3244*t1483 + | ^ +Warning: 't1172' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:24: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^~~~ -note: 't728' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2168:41: + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 + | ^~~~~ +note: 't1172' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2512:57: - 2168 | t1775 = 0.2e1_dp*t729*t305 - | ^ -Warning: 't729' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:90: + 2512 | t5819 = 0.1800000000e2_dp*t478*t1176*t4729 + | ^ +Warning: 't1176' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:31: - 1284 | REAL(KIND=dp) :: t704, t705, t706, t709, t712, t715, t716, t719, t722, t725, t728, t729, & - | ^~~~ -note: 't729' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2139:42: + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 + | ^~~~~ +note: 't1176' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: - 2139 | t1666 = 0.80e1_dp*t730*t254 - | ^ -Warning: 't730' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:15: + 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 + | ^ +Warning: 't1189' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:38: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^~~~ -note: 't730' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2264:80: + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 + | ^~~~~ +note: 't1189' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 - | ^ -Warning: 't732' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:21: + 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 + | ^ +Warning: 't1192' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:58: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^~~~ -note: 't732' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2124:42: + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 + | ^~~~~ +note: 't1192' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: - 2124 | t1620 = 0.80e1_dp*t733*t254 - | ^ -Warning: 't733' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:27: + 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 + | ^ +Warning: 't1193' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:279:65: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^~~~ -note: 't733' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2228:29: + 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 + | ^~~~~ +note: 't1193' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - 2228 | *t1094 - | ^ -Warning: 't735' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:33: + 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 + | ^ +Warning: 't1194' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:24: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^~~~ -note: 't735' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2165:41: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^~~~~ +note: 't1194' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 2165 | t1764 = 0.2e1_dp*t741*t202 - | ^ -Warning: 't741' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:44: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't1200' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:36: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^~~~ -note: 't741' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2174:36: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^~~~~ +note: 't1200' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: - 2174 | t1782 = 0.2e1_dp*t742 - | ^ -Warning: 't742' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:50: + 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 + | ^ +Warning: 't1201' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:43: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^~~~ -note: 't742' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^~~~~ +note: 't1201' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't743' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:56: + 1955 | *t58*t3796*t71 + | ^ +Warning: 't1207' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:57: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^~~~ -note: 't743' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2164:41: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^~~~~ +note: 't1207' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: - 2164 | t1754 = 0.2e1_dp*t744*t254 + 1984 | t192*t68*t4256*t65 | ^ -Warning: 't744' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:62: +Warning: 't1213' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:71: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^~~~ -note: 't744' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2115:36: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^~~~~ +note: 't1213' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: - 2115 | t1605 = 0.2e1_dp*t745 - | ^ -Warning: 't745' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:68: + 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 + | ^ +Warning: 't1216' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:78: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^~~~ -note: 't745' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2114:37: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^~~~~ +note: 't1216' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: - 2114 | t1604 = 0.80e1_dp*t746 - | ^ -Warning: 't746' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:74: + 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 + | ^ +Warning: 't1221' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:91: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^~~~ -note: 't746' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2116:37: + 280 | REAL(KIND=dp) :: t1194, t12, t1200, t1201, t1206, t1207, t1210, t1213, t1216, t122, t1221, & + | ^~~~~ +note: 't1221' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 2116 | t1606 = 0.80e1_dp*t748 - | ^ -Warning: 't748' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:80: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't1224' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:10: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^~~~ -note: 't748' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2223:58: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^~~~~ +note: 't1224' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 - | ^ -Warning: 't750' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:91: + 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 + | ^ +Warning: 't1235' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:23: - 1285 | t73, t730, t732, t733, t735, t74, t741, t742, t743, t744, t745, t746, t748, t75, t750, & - | ^~~~ -note: 't750' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2167:49: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^~~~~ +note: 't1235' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2498:59: - 2167 | t1768 = 0.2400e2_dp*t750*t253*t751 - | ^ -Warning: 't751' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:10: + 2498 | t5776 = 0.2777777778e-1_dp*t1246*t1247*t5009 + | ^ +Warning: 't1246' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:44: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^~~~ -note: 't751' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2233:29: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^~~~~ +note: 't1246' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: - 2233 | *t1776 - | ^ -Warning: 't752' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:16: + 2062 | *t3507 - t3512)*t149*t160 + | ^ +Warning: 't1247' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:51: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^~~~ -note: 't752' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2112:39: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^~~~~ +note: 't1247' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: - 2112 | t1602 = 0.2400e2_dp*t753 + 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 + | ^ +Warning: 't1264' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:71: + + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^~~~~ +note: 't1264' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: + + 2062 | *t3507 - t3512)*t149*t160 + | ^ +Warning: 't1275' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:85: + + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^~~~~ +note: 't1275' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39: + + 2020 | *t429*t1928*t290 | ^ -Warning: 't753' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:22: +Warning: 't1283' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:281:92: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^~~~ -note: 't753' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2209:64: + 281 | t1224, t123, t1235, t1238, t1239, t1246, t1247, t1254, t126, t1264, t1268, t1275, t1283, & + | ^~~~~ +note: 't1283' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: - 2209 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 - | ^ -Warning: 't755' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:28: + 2043 | + (2*t147*t1284*t672) + | ^ +Warning: 't1284' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:10: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^~~~ -note: 't755' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2159:52: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^~~~~ +note: 't1284' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2365:57: - 2159 | t1730 = 0.160e2_dp*t755*t756*t252*t91 - | ^ -Warning: 't756' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:34: + 2365 | t5429 = 0.1666666667e0_dp*t445*t1292*t5143 + | ^ +Warning: 't1292' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:24: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^~~~ -note: 't756' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2209:64: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^~~~~ +note: 't1292' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: - 2209 | *t133*t90*t91*t789 + 0.80e1_dp*t1671*t327 - | ^ -Warning: 't757' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:40: + 2717 | + 0.4500000000e1_dp*t2009*t4744 + | ^ +Warning: 't1300' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:42: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^~~~ -note: 't757' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2223:58: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^~~~~ +note: 't1300' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1901:33: - 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 - | ^ -Warning: 't758' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:46: + 1901 | t3939 = t1301*t245 + | ^ +Warning: 't1301' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:49: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^~~~ -note: 't758' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2117:38: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^~~~~ +note: 't1301' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2464:57: - 2117 | t1609 = 0.160e2_dp*t759 - | ^ -Warning: 't759' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:52: + 2464 | t5679 = 0.1875000000e1_dp*t1302*t406*t5002 + | ^ +Warning: 't1302' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:56: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^~~~ -note: 't759' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^~~~~ +note: 't1302' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2460:57: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't762' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:58: + 2460 | t5670 = 0.2250000000e1_dp*t400*t1309*t4729 + | ^ +Warning: 't1309' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:63: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^~~~ -note: 't762' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^~~~~ +note: 't1309' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't764' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:70: + 1924 | t1320*t1483 + | ^ +Warning: 't1316' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:76: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^~~~ -note: 't764' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2113:36: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^~~~~ +note: 't1316' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: - 2113 | t1603 = 0.2e1_dp*t766 - | ^ -Warning: 't766' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:76: + 1924 | t1320*t1483 + | ^ +Warning: 't1320' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:282:89: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^~~~ -note: 't766' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2121:37: + 282 | t1284, t1288, t1292, t13, t130, t1300, t1301, t1302, t1309, t131, t1316, t132, t1320, & + | ^~~~~ +note: 't1320' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2449:57: - 2121 | t1611 = 0.80e1_dp*t767 - | ^ -Warning: 't767' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:82: + 2449 | t5641 = 0.1500000000e1_dp*t405*t1333*t4729 + | ^ +Warning: 't1333' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:16: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^~~~ -note: 't767' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2177:37: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^~~~~ +note: 't1333' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: - 2177 | t1786 = 0.80e1_dp*t769 - | ^ -Warning: 't769' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:88: + 1911 | *t400*t1333*t1410 + | ^ +Warning: 't1340' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:23: - 1286 | t751, t752, t753, t755, t756, t757, t758, t759, t762, t763, t764, t766, t767, t769, t77, & - | ^~~~ -note: 't769' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2173:64: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^~~~~ +note: 't1340' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: - 2173 | *t125*t340*t309 + t1775 - 0.40e1_dp*t1776 - | ^ -Warning: 't771' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:10: + 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 + | ^ +Warning: 't1348' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:37: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^~~~ -note: 't771' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2223:58: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^~~~~ +note: 't1348' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: - 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 + 2052 | + 0.3333333334e0_dp*t165*t437*t1688 | ^ -Warning: 't772' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:16: +Warning: 't1360' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:50: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^~~~ -note: 't772' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2223:58: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^~~~~ +note: 't1360' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: - 2223 | *t1897*t92 - 0.1200e2_dp*t750*t1901 - | ^ -Warning: 't773' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:22: + 1784 | t165*t171*t3449 + | ^ +Warning: 't1368' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:64: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^~~~ -note: 't773' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2176:39: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^~~~~ +note: 't1368' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2505:40: - 2176 | t1785 = 0.2400e2_dp*t774 - | ^ -Warning: 't774' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:28: + 2505 | t5797 = t1373*t1962*t1829 + | ^ +Warning: 't1373' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:84: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^~~~ -note: 't774' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2233:29: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^~~~~ +note: 't1373' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: - 2233 | *t1776 - | ^ -Warning: 't777' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:34: + 2035 | *t1246*t3244*t1483 + | ^ +Warning: 't1377' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:283:91: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^~~~ -note: 't777' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2233:29: + 283 | t133, t1333, t1340, t1347, t1348, t136, t1360, t1367, t1368, t137, t1372, t1373, t1377, & + | ^~~~~ +note: 't1377' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 2233 | *t1776 - | ^ -Warning: 't778' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:40: + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 + | ^ +Warning: 't1387' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:10: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^~~~ -note: 't778' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2233:29: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^~~~~ +note: 't1387' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: - 2233 | *t1776 - | ^ -Warning: 't779' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:46: + 2043 | + (2*t147*t1284*t672) + | ^ +Warning: 't1388' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:17: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^~~~ -note: 't779' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2175:38: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^~~~~ +note: 't1388' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2442:57: - 2175 | t1783 = 0.160e2_dp*t780 - | ^ -Warning: 't780' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:52: + 2442 | t5622 = 0.1666666667e0_dp*t165*t1392*t4729 + | ^ +Warning: 't1392' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:24: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^~~~ -note: 't780' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^~~~~ +note: 't1392' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't782' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:58: + 2099 | t3869 + t4657 + t4696) + | ^ +Warning: 't1409' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:77: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^~~~ -note: 't782' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2197:32: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^~~~~ +note: 't1409' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2219:56: - 2197 | t1836 = t732*t783 - | ^ -Warning: 't783' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:64: + 2219 | t5022 = 0.1666666667e0_dp*t429*t679*t1410 + | ^ +Warning: 't1410' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:90: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^~~~ -note: 't783' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: + 284 | t1387, t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, & + | ^~~~~ +note: 't1410' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't784' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:70: + 2099 | t3869 + t4657 + t4696) + | ^ +Warning: 't1411' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:10: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^~~~ -note: 't784' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2241:32: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^~~~~ +note: 't1411' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2380:51: - 2241 | t1979 = t789*t309 - | ^ -Warning: 't789' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:82: + 2380 | t5468 = 0.2346666666e3_dp*t605*t1420 + | ^ +Warning: 't1420' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:31: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^~~~ -note: 't789' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2264:80: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^~~~~ +note: 't1420' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2385:55: - 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 - | ^ -Warning: 't793' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:88: + 2385 | t5478 = 0.240e2_dp*t1616*t973*t645*t1425 + | ^ +Warning: 't1425' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:38: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^~~~ -note: 't793' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2246:34: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^~~~~ +note: 't1425' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2162:56: - 2246 | *t136*t1986 - | ^ -Warning: 't796' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:94: + 2162 | t102*t4838 - 0.20e1_dp*t102*t4850 + | ^ +Warning: 't1426' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:45: - 1287 | t771, t772, t773, t774, t777, t778, t779, t780, t782, t783, t784, t786, t789, t793, t796, & - | ^~~~ -note: 't796' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2246:34: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^~~~~ +note: 't1426' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 2246 | *t136*t1986 - | ^ -Warning: 't799' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:10: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't1429' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:52: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^~~~ -note: 't799' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2204:32: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^~~~~ +note: 't1429' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: - 2204 | t1858 = t802*t142 - | ^ -Warning: 't802' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:25: + 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 + | ^ +Warning: 't1438' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:66: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^~~~ -note: 't802' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2215:32: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^~~~~ +note: 't1438' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1843:34: - 2215 | t1893 = t803*t305 - | ^ -Warning: 't803' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:31: + 1843 | t3679 = t2565*t1439 + | ^ +Warning: 't1439' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:73: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^~~~ -note: 't803' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2210:32: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^~~~~ +note: 't1439' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: - 2210 | t1870 = t804*t254 - | ^ -Warning: 't804' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:37: + 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 + | ^ +Warning: 't1440' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:86: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^~~~ -note: 't804' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2202:32: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^~~~~ +note: 't1440' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2426:53: - 2202 | t1850 = t806*t254 - | ^ -Warning: 't806' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:43: + 2426 | t5579 = 0.80e1_dp*t102*t327*t645*t1443 + | ^ +Warning: 't1443' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:285:93: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^~~~ -note: 't806' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2214:32: + 285 | t1411, t1413, t1417, t1420, t1425, t1426, t1429, t1436, t1438, t1439, t144, t1440, t1443, & + | ^~~~~ +note: 't1443' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2407:45: - 2214 | t1891 = t808*t254 - | ^ -Warning: 't808' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:49: + 2407 | t5535 = 0.640e2_dp*t1582*t1444 + | ^ +Warning: 't1444' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:10: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^~~~ -note: 't808' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2198:32: + 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 + | ^~~~~ +note: 't1444' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2515:57: - 2198 | t1838 = t811*t202 - | ^ -Warning: 't811' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:55: + 2515 | t5828 = 0.3600000000e2_dp*t473*t1801*t1447 + | ^ +Warning: 't1447' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:17: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^~~~ -note: 't811' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: + 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 + | ^~~~~ +note: 't1447' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't812' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:61: + 2234 | + t5032 + t5035 + | ^ +Warning: 't1459' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:44: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^~~~ -note: 't812' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: + 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 + | ^~~~~ +note: 't1459' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: - 2120 | + t842 - t1609 - | ^ -Warning: 't813' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:67: + 2234 | + t5032 + t5035 + | ^ +Warning: 't1466' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:57: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^~~~ -note: 't813' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2196:32: + 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 + | ^~~~~ +note: 't1466' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: - 2196 | t1832 = t814*t254 - | ^ -Warning: 't814' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:73: + 1784 | t165*t171*t3449 + | ^ +Warning: 't1470' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:286:70: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^~~~ -note: 't814' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: + 286 | t1444, t1447, t145, t1451, t1455, t1459, t146, t1466, t147, t1470 + | ^~~~~ +note: 't1470' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't815' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:79: + 2234 | + t5032 + t5035 + | ^ +Warning: 't1471' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:24: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^~~~ -note: 't815' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: + 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & + | ^~~~~ +note: 't1471' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2634:59: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't816' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:85: + 2634 | t6112 = 0.5555555556e-1_dp*t1246*t4553*t1483 + | ^ +Warning: 't1483' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:52: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^~~~ -note: 't816' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: + 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & + | ^~~~~ +note: 't1483' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2172:57: - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't817' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:91: + 2172 | t4887 = 0.1800000000e2_dp*t473*t1493*t4729 + | ^ +Warning: 't1493' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:287:86: - 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & - | ^~~~ -note: 't817' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: + 287 | REAL(KIND=dp) :: t1471, t1476, t1479, t1482, t1483, t1485, t1489, t149, t1492, t1493, t1496, & + | ^~~~~ +note: 't1493' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2175:39: - 2120 | + t842 - t1609 + 2175 | t4895 = t478*t1500*t4729 + | ^ +Warning: 't1500' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:28: + + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + | ^~~~~ +note: 't1500' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2540:37: + + 2540 | t5898 = t705*t1504*t65 | ^ -Warning: 't818' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:10: +Warning: 't1504' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:42: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^~~~ -note: 't818' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + | ^~~~~ +note: 't1504' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2557:38: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't819' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:16: + 2557 | t5938 = t192*t728*t1505 + | ^ +Warning: 't1505' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:49: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^~~~ -note: 't819' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + | ^~~~~ +note: 't1505' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2182:57: - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't820' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:22: + 2182 | t4907 = 0.2250000000e2_dp*t1506*t471*t4905 + | ^ +Warning: 't1506' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:56: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^~~~ -note: 't820' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + | ^~~~~ +note: 't1506' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2185:52: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't821' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:28: + 2185 | t4911 = 0.8999999998e1_dp*t1507*t4909 + | ^ +Warning: 't1507' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:63: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^~~~ -note: 't821' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + | ^~~~~ +note: 't1507' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1984:41: - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't822' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:34: + 1984 | t192*t68*t4256*t65 + | ^ +Warning: 't1510' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:83: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^~~~ -note: 't822' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: + 288 | t1498, t15, t150, t1500, t1502, t1504, t1505, t1506, t1507, t1509, t151, t1510, t1512, & + | ^~~~~ +note: 't1510' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2191:52: - 2120 | + t842 - t1609 - | ^ -Warning: 't823' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:40: + 2191 | t4925 = 0.5000000001e0_dp*t1513*t4908 + | ^ +Warning: 't1513' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:10: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^~~~ -note: 't823' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^~~~~ +note: 't1513' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2590:39: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't824' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:46: + 2590 | t6021 = t649*t1518*t1722 + | ^ +Warning: 't1518' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:31: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^~~~ -note: 't824' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^~~~~ +note: 't1518' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2613:42: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't825' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:52: + 2613 | t6066 = t1519*t705*t561*t65 + | ^ +Warning: 't1519' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:38: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^~~~ -note: 't825' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2186:60: + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^~~~~ +note: 't1519' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2568:34: - 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 - | ^ -Warning: 't826' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:58: + 2568 | t5964 = t1715*t1525 + | ^ +Warning: 't1525' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:52: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^~~~ -note: 't826' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^~~~~ +note: 't1525' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2193:52: - 2120 | + t842 - t1609 - | ^ -Warning: 't827' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:64: + 2193 | t4932 = 0.5000000001e0_dp*t1528*t4908 + | ^ +Warning: 't1528' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:59: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^~~~ -note: 't827' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2264:80: + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^~~~~ +note: 't1528' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 - | ^ -Warning: 't828' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:70: + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 + | ^ +Warning: 't1531' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:73: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^~~~ -note: 't828' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^~~~~ +note: 't1531' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2165:42: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't829' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:76: + 2165 | t4864 = t217*t46*t1535*t561 + | ^ +Warning: 't1535' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:80: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^~~~ -note: 't829' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2186:60: + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^~~~~ +note: 't1535' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 - | ^ -Warning: 't830' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:82: + 2099 | t3869 + t4657 + t4696) + | ^ +Warning: 't1536' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:289:87: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^~~~ -note: 't830' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: + 289 | t1513, t1515, t1517, t1518, t1519, t1523, t1525, t1528, t1530, t1531, t1535, t1536, & + | ^~~~~ +note: 't1536' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: - 2120 | + t842 - t1609 - | ^ -Warning: 't831' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:88: + 2080 | *t289*t294*t1553 + | ^ +Warning: 't1546' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:31: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^~~~ -note: 't831' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2264:80: + 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & + | ^~~~~ +note: 't1546' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: - 2264 | 0.3e1_dp*t1765 + 0.120e2_dp*t1858*t327 - 0.120e2_dp*t1776 - | ^ -Warning: 't832' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:94: + 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 + | ^ +Warning: 't1547' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:38: - 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & - | ^~~~ -note: 't832' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: + 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & + | ^~~~~ +note: 't1547' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2658:56: - 2270 | t2048)*t2)*sc - | ^ -Warning: 't833' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1290:10: + 2658 | t6185 = 0.3333333336e0_dp*t289*t597*t1553 + | ^ +Warning: 't1553' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:65: - 1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 - | ^~~~ -note: 't833' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2186:60: + 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & + | ^~~~~ +note: 't1553' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2667:56: - 2186 | *t743 - 0.160e2_dp*t764 - t492 + t365 - | ^ -Warning: 't834' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1290:16: + 2667 | t6201 = 0.3333333336e0_dp*t289*t597*t1557 + | ^ +Warning: 't1557' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:290:79: - 1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 - | ^~~~ -note: 't834' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:565:24: + 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & + | ^~~~~ +note: 't1557' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: - 565 | t240 = t1*ndrho - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:369:82: + 2088 | *t83*t45*t3581*t140 + | ^ +Warning: 't1564' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:17: - 369 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^~ -note: 't1' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:660:22: + 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & + | ^~~~~ +note: 't1564' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: - 660 | t411 = t3*t10 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:369:86: + 1894 | *t165*t3865*t237 + | ^ +Warning: 't1565' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:24: - 369 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^~~ -note: 't10' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:636:97: + 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & + | ^~~~~ +note: 't1565' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: - 636 | *t117*t130) + (2._dp*t330*t368))*t134 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:371:38: + 1894 | *t165*t3865*t237 + | ^ +Warning: 't1568' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:31: - 371 | t1060, t1073, t1079, t1082, t109, t11, t110, t1100, t111, t1110, t1114, t1117, t112, & - | ^~~~ -note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:521:24: + 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & + | ^~~~~ +note: 't1568' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2653:56: - 521 | t165 = t11*t164 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:371:44: + 2653 | t6170 = 0.3333333336e0_dp*t289*t597*t1571 + | ^ +Warning: 't1571' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:45: - 371 | t1060, t1073, t1079, t1082, t109, t11, t110, t1100, t111, t1110, t1114, t1117, t112, & - | ^~~ -note: 't11' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:638:29: + 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & + | ^~~~~ +note: 't1571' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: - 638 | t376 = t111*t93*t138 - | ^ -Warning: 't111' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:371:62: + 2088 | *t83*t45*t3581*t140 + | ^ +Warning: 't1575' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:59: - 371 | t1060, t1073, t1079, t1082, t109, t11, t110, t1100, t111, t1110, t1114, t1117, t112, & - | ^~~~ -note: 't111' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:636:97: + 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & + | ^~~~~ +note: 't1575' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2375:46: - 636 | *t117*t130) + (2._dp*t330*t368))*t134 - | ^ -Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:10: + 2375 | t5456 = 0.1280e3_dp*t1582*t1426 + | ^ +Warning: 't1582' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:291:87: - 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & - | ^~~~ -note: 't114' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:697:97: + 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & + | ^~~~~ +note: 't1582' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 697 | *t117*t130) + (2._dp*t330*t485))*t134 - | ^ -Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:36: + 1866 | *t339*t969 + | ^ +Warning: 't1589' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:31: - 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & - | ^~~~ -note: 't117' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:794:24: + 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & + | ^~~~~ +note: 't1589' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2417:52: - 794 | t875 = t97*t118 - | ^ -Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:42: + 2417 | t5560 = 0.2346666666e3_dp*t1589*t1592 + | ^ +Warning: 't1592' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:45: - 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & - | ^~~~ -note: 't118' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:621:25: + 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & + | ^~~~~ +note: 't1592' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 621 | t344 = t119*t343 - | ^ -Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:48: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't1597' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:66: - 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & - | ^~~~ -note: 't119' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:519:23: + 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & + | ^~~~~ +note: 't1597' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 519 | t163 = t12*rho - | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:54: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't1598' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:73: - 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & - | ^~~ -note: 't12' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:633:43: + 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & + | ^~~~~ +note: 't1598' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2414:49: - 633 | + t355*t363/0.2e1_dp) - | ^ -Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:72: + 2414 | t5551 = 0.1280e3_dp*t24*t298*t1599 + | ^ +Warning: 't1599' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:80: - 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & - | ^~~~ -note: 't121' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:633:43: + 292 | t1584, t1586, t1588, t1589, t1591, t1592, t1594, t1596, t1597, t1598, t1599, t16, t160, & + | ^~~~~ +note: 't1599' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - 633 | + t355*t363/0.2e1_dp) - | ^ -Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:85: + 1832 | *t3339 + | ^ +Warning: 't1602' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:17: - 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & - | ^~~~ -note: 't122' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:622:27: + 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 + | ^~~~~ +note: 't1602' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2373:44: - 622 | t345 = t123*sscale - | ^ -Warning: 't123' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:372:91: + 2373 | t5451 = 0.640e2_dp*t605*t1603 + | ^ +Warning: 't1603' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:24: - 372 | t114, t1143, t116, t1165, t117, t118, t119, t12, t120, t1202, t121, t1215, t122, t123, & - | ^~~~ -note: 't123' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:618:24: + 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 + | ^~~~~ +note: 't1603' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2384:51: - 618 | t340 = t70*t125 - | ^ -Warning: 't125' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:373:17: + 2384 | t5474 = 0.4266666668e2_dp*t339*t1608 + | ^ +Warning: 't1608' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:45: - 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & - | ^~~~ -note: 't125' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:694:58: + 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 + | ^~~~~ +note: 't1608' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2403:51: - 694 | t484 = t342*(t472*t345*t126 + t355*t480/0.2e1_dp) - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:373:30: + 2403 | t5525 = 0.2133333334e2_dp*t339*t1611 + | ^ +Warning: 't1611' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:293:65: - 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & - | ^~~~ -note: 't126' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:633:43: + 293 | t1601, t1602, t1603, t1605, t1607, t1608, t161, t1610, t1611, t1613 + | ^~~~~ +note: 't1611' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 633 | + t355*t363/0.2e1_dp) - | ^ -Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:373:43: + 1866 | *t339*t969 + | ^ +Warning: 't1616' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:31: - 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & - | ^~~~ -note: 't127' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:633:43: + 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & + | ^~~~~ +note: 't1616' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 633 | + t355*t363/0.2e1_dp) - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:373:56: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't1617' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:38: - 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & - | ^~~ -note: 't13' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:697:97: + 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & + | ^~~~~ +note: 't1617' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2371:47: - 697 | *t117*t130) + (2._dp*t330*t485))*t134 - | ^ -Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:373:61: + 2371 | t5446 = 0.480e2_dp*t24*t23*t1618 + | ^ +Warning: 't1618' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:45: - 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & - | ^~~~ -note: 't130' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:637:25: + 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & + | ^~~~~ +note: 't1618' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 637 | t374 = t135*t136 - | ^ -Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:373:87: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't1621' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:59: - 373 | t1242, t125, t1258, t126, t1263, t127, t1286, t13, t130, t1316, t134, t1347, t135, t1352, & - | ^~~~ -note: 't135' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:640:60: + 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & + | ^~~~~ +note: 't1621' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2408:44: - 640 | t381 = (-t372*t139 - 0.7e1_dp/0.2e1_dp*t374*t377)*E - | ^ -Warning: 't139' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:374:71: + 2408 | t5537 = 0.160e2_dp*t112*t1622 + | ^ +Warning: 't1622' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:66: - 374 | t1358, t136, t1362, t1365, t1369, t1372, t138, t1382, t1388, t139, t1392, t1395, t14, & - | ^~~~ -note: 't139' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:552:24: + 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & + | ^~~~~ +note: 't1622' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 552 | t220 = t14*t219 - | ^ -Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:374:91: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't1625' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:80: - 374 | t1358, t136, t1362, t1365, t1369, t1372, t138, t1382, t1388, t139, t1392, t1395, t14, & - | ^~~ -note: 't14' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:669:59: + 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & + | ^~~~~ +note: 't1625' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2405:44: - 669 | *t142*t384 + t145*(t387 + t412*t418))*Clda - | ^ -Warning: 't142' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:375:17: + 2405 | t5531 = 0.160e2_dp*t112*t1626 + | ^ +Warning: 't1626' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:294:87: - 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 - | ^~~~ -note: 't142' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:713:66: + 294 | REAL(KIND=dp) :: t1615, t1616, t1617, t1618, t1620, t1621, t1622, t1624, t1625, t1626, & + | ^~~~~ +note: 't1626' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 713 | - 3._dp*t142*t497 + t145*(t500 + t515*t418))*Clda - | ^ -Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:375:23: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't1631' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:24: - 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 - | ^~~~ -note: 't143' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:592:85: + 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & + | ^~~~~ +note: 't1631' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2406:44: - 592 | *t282) - t147*t285 - | ^ -Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:375:55: + 2406 | t5533 = 0.160e2_dp*t112*t1632 + | ^ +Warning: 't1632' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:31: - 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 - | ^~~~ -note: 't147' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:585:25: + 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & + | ^~~~~ +note: 't1632' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: - 585 | t275 = t148*t274 - | ^ -Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:375:61: + 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 + | ^ +Warning: 't1640' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:65: - 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 - | ^~~~ -note: 't148' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:649:25: + 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & + | ^~~~~ +note: 't1640' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2387:49: - 649 | t398 = t397*t149 - | ^ -Warning: 't149' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:375:67: + 2387 | t5482 = 0.2160000000e3_dp*t7*t1642 + | ^ +Warning: 't1642' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:72: - 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 - | ^~~~ -note: 't149' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:559:24: + 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & + | ^~~~~ +note: 't1642' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2162:56: - 559 | t231 = t164*t15 - | ^ -Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:375:73: + 2162 | t102*t4838 - 0.20e1_dp*t102*t4850 + | ^ +Warning: 't1645' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:295:86: - 375 | t1412, t142, t143, t145, t1455, t146, t1465, t147, t148, t149, t15 - | ^~~ -note: 't15' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:709:67: + 295 | t1628, t1630, t1631, t1632, t1634, t1636, t1638, t164, t1640, t1642, t1644, t1645, t1647, & + | ^~~~~ +note: 't1645' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2389:54: - 709 | t513 = 2._dp*t501*t150 + t147*t505 - t147*t508 - t147*t511 - | ^ -Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:24: + 2389 | t5487 = 0.2160000000e3_dp*t7*t995*t1652 + | ^ +Warning: 't1652' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:23: - 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & - | ^~~~ -note: 't150' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:670:70: + 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & + | ^~~~~ +note: 't1652' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2390:52: - 670 | e_rho = e_rho + (-0.4e1_dp/0.3e1_dp*t269*t156 - t76*t423)*sx0 - | ^ -Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:50: + 2390 | t5489 = 0.1600000000e2_dp*t1429*t1658 + | ^ +Warning: 't1658' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:44: - 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & - | ^~~~ -note: 't156' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:568:47: + 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & + | ^~~~~ +note: 't1658' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2396:52: - 568 | t245 = 2._dp*t237*t16 + 4._dp*t242*t29 - | ^ -Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:75: + 2396 | t5507 = 0.120e2_dp*t7*t640*t1667*t371 + | ^ +Warning: 't1667' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:78: - 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & - | ^~~ -note: 't16' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:573:22: + 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & + | ^~~~~ +note: 't1667' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2394:44: - 573 | t253 = a4*t18 - | ^ -Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:64: + 2394 | t5499 = 0.120e2_dp*t550*t1669 + | ^ +Warning: 't1669' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:296:85: - 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & - | ^~~ -note: 't18' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:527:24: + 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & + | ^~~~~ +note: 't1669' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2392:49: - 527 | t174 = t19*t173 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:16: + 2392 | t5494 = 0.6400000000e2_dp*t7*t1677 + | ^ +Warning: 't1677' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:17: - 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & - | ^~~ -note: 't19' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:517:23: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^~~~~ +note: 't1677' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2398:38: - 517 | t159 = t2*t158 - | ^ -Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:51: + 2398 | t5511 = t1680*t3673*t23 + | ^ +Warning: 't1680' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:31: - 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & - | ^~ -note: 't2' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:532:53: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^~~~~ +note: 't1680' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2393:38: - 532 | 0.3e1_dp*t174*t176 - (4._dp*t22*t180) - | ^ -Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:33: + 2393 | t5496 = t366*t368*t1681 + | ^ +Warning: 't1681' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:38: - 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & - | ^~~ -note: 't22' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:620:24: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^~~~~ +note: 't1681' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 620 | t343 = t120*t24 - | ^ -Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:16: + 1866 | *t339*t969 + | ^ +Warning: 't1684' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:45: - 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & - | ^~~ -note: 't24' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:546:32: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^~~~~ +note: 't1684' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2420:33: - 546 | t207 = 0.1e1_dp/t25/t12 - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:63: + 2420 | t5565 = t112*t1685 + | ^ +Warning: 't1685' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:52: - 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & - | ^~~ -note: 't25' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:528:23: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^~~~~ +note: 't1685' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: - 528 | t175 = t26*t28 - | ^ -Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:92: + 2052 | + 0.3333333334e0_dp*t165*t437*t1688 + | ^ +Warning: 't1688' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:59: - 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & - | ^~~ -note: 't26' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:530:27: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^~~~~ +note: 't1688' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: - 530 | t180 = t24*t44*t28 - | ^ -Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:70: + 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 + | ^ +Warning: 't1689' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:66: - 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & - | ^~~ -note: 't28' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:576:64: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^~~~~ +note: 't1689' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2329:55: - 576 | t261 = 4._dp*t250*t29 + 5._dp*t254*t47 + 6._dp*t258*t63 - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:22: + 2329 | t5338 = 0.6666666672e0_dp*t55*t1694*t561 + | ^ +Warning: 't1694' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:297:80: - 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 - | ^~~ -note: 't29' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:627:24: + 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & + | ^~~~~ +note: 't1694' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: - 627 | t358 = t31*t188 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:42: + 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 + | ^ +Warning: 't1700' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:28: - 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & - | ^~~ -note: 't31' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:538:24: + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & + | ^~~~~ +note: 't1700' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: - 538 | t191 = t32*t190 - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:53: + 1894 | *t165*t3865*t237 + | ^ +Warning: 't1703' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:42: - 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & - | ^~~ -note: 't32' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:540:24: + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & + | ^~~~~ +note: 't1703' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: - 540 | t193 = t33*t173 - | ^ -Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:82: + 2088 | *t83*t45*t3581*t140 + | ^ +Warning: 't1706' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:56: - 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & - | ^~~ -note: 't33' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:550:73: + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & + | ^~~~~ +note: 't1706' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - 550 | /0.3e1_dp*t201*t203 - (5._dp*t40*t209) - (8._dp*t53*t215) - | ^ -Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:40: + 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 + | ^ +Warning: 't1709' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:70: - 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & - | ^~~ -note: 't34' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:575:26: + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & + | ^~~~~ +note: 't1709' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2600:52: - 575 | t258 = a5*t36*t52 - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:22: + 2600 | t6033 = 0.1000000000e1_dp*t5244*t1712 + | ^ +Warning: 't1712' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:83: - 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & - | ^~~ -note: 't36' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:543:24: + 298 | t1699, t17, t170, t1700, t1702, t1703, t1705, t1706, t1708, t1709, t171, t1712, t1714, & + | ^~~~~ +note: 't1712' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2568:34: - 543 | t201 = t37*t200 - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:57: + 2568 | t5964 = t1715*t1525 + | ^ +Warning: 't1715' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:10: - 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & - | ^~~ -note: 't37' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:550:73: + 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & + | ^~~~~ +note: 't1715' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: - 550 | /0.3e1_dp*t201*t203 - (5._dp*t40*t209) - (8._dp*t53*t215) - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:67: + 1955 | *t58*t3796*t71 + | ^ +Warning: 't1718' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:24: - 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & - | ^~~ -note: 't40' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:555:23: + 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & + | ^~~~~ +note: 't1718' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2612:52: - 555 | t224 = t42*t13 - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:88: + 2612 | t6063 = 0.1000000000e1_dp*t1720*t5956 + | ^ +Warning: 't1720' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:44: - 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & - | ^~~ -note: 't42' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:544:23: + 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & + | ^~~~~ +note: 't1720' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2621:37: - 544 | t202 = t44*t46 - | ^ -Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:52: + 2621 | *t6075 - t6078 + | ^ +Warning: 't1722' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:51: - 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & - | ^~~ -note: 't44' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:547:28: + 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & + | ^~~~~ +note: 't1722' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2589:52: - 547 | t209 = t42*t207*t46 - | ^ -Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:93: + 2589 | t6019 = 0.7407407410e-1_dp*t719*t1726 + | ^ +Warning: 't1726' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:65: - 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & - | ^~~ -note: 't46' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:576:64: + 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & + | ^~~~~ +note: 't1726' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2004:32: - 576 | t261 = 4._dp*t250*t29 + 5._dp*t254*t47 + 6._dp*t258*t63 - | ^ -Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:22: + 2004 | t4352 = t1731*t67 + | ^ +Warning: 't1731' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:299:86: - 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 - | ^~~ -note: 't47' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:532:53: + 299 | t1715, t1717, t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, & + | ^~~~~ +note: 't1731' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: - 532 | 0.3e1_dp*t174*t176 - (4._dp*t22*t180) - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:54: + 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 + | ^ +Warning: 't1737' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:10: - 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & - | ^~ -note: 't5' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:550:73: + 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 + | ^~~~~ +note: 't1737' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2555:57: - 550 | /0.3e1_dp*t201*t203 - (5._dp*t40*t209) - (8._dp*t53*t215) - | ^ -Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:45: + 2555 | t5929 = 0.2250000000e2_dp*t1740*t471*t4905 + | ^ +Warning: 't1740' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:17: - 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & - | ^~~ -note: 't53' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:548:31: + 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 + | ^~~~~ +note: 't1740' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2563:52: - 548 | t215 = t58/t59/rho*t61 - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:392:56: + 2563 | t5954 = 0.8999999998e1_dp*t1741*t4909 + | ^ +Warning: 't1741' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:24: - 392 | t557, t56, t566, t569, t570, t577, t579, t58, t59, t6, t61, t616, t620, t621, t627, t628, & - | ^~~ -note: 't59' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:548:31: + 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 + | ^~~~~ +note: 't1741' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - 548 | t215 = t58/t59/rho*t61 - | ^ -Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:392:65: + 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 + | ^ +Warning: 't1745' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:38: - 392 | t557, t56, t566, t569, t570, t577, t579, t58, t59, t6, t61, t616, t620, t621, t627, t628, & - | ^~~ -note: 't61' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:576:64: + 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 + | ^~~~~ +note: 't1745' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2598:72: - 576 | t261 = 4._dp*t250*t29 + 5._dp*t254*t47 + 6._dp*t258*t63 + 2598 | *t6021 + t6025 - 0.5555555558e-1_dp*t58*t5613*t71 + | ^ +Warning: 't1748' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:45: + + 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 + | ^~~~~ +note: 't1748' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: + + 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 | ^ -Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:393:10: +Warning: 't1755' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:66: - 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & - | ^~~ -note: 't63' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:665:24: + 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 + | ^~~~~ +note: 't1755' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2604:52: - 665 | t416 = t415*t65 - | ^ -Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:393:27: + 2604 | t6044 = 0.2000000002e1_dp*t1763*t5956 + | ^ +Warning: 't1763' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:51: - 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & - | ^~~ -note: 't65' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:579:25: + 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & + | ^~~~~ +note: 't1763' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2611:40: - 579 | t265 = t66*ndrho - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:393:44: + 2611 | t6060 = t1766*t5881*t4940 + | ^ +Warning: 't1766' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:65: - 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & - | ^~~ -note: 't66' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:534:24: + 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & + | ^~~~~ +note: 't1766' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: - 534 | t185 = t184*t67 - | ^ -Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:393:55: + 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 + | ^ +Warning: 't1769' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:79: - 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & - | ^~~ -note: 't67' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:562:81: + 301 | REAL(KIND=dp) :: t1758, t176, t1760, t1762, t1763, t1765, t1766, t1768, t1769, t177, t1773, & + | ^~~~~ +note: 't1769' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2579:52: - 562 | *t68*t233) - | ^ -Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:393:66: + 2579 | t5985 = 0.5000000001e0_dp*t1774*t4908 + | ^ +Warning: 't1774' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:10: - 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & - | ^~~ -note: 't68' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:560:28: + 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & + | ^~~~~ +note: 't1774' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2587:52: - 560 | t233 = t69*t231*t71 - | ^ -Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:393:77: + 2587 | t6009 = 0.5000000001e0_dp*t1777*t4908 + | ^ +Warning: 't1777' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:24: - 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & - | ^~~ -note: 't69' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:618:24: + 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & + | ^~~~~ +note: 't1777' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2616:51: - 618 | t340 = t70*t125 - | ^ -Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:393:86: + 2616 | t6078 = 0.1111111112e0_dp*t719*t1782 + | ^ +Warning: 't1782' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:44: - 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & - | ^~~ -note: 't70' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: + 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & + | ^~~~~ +note: 't1782' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2569:34: - 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) - | ^ -Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:394:21: + 2569 | t5966 = t1785*t1790 + | ^ +Warning: 't1785' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:58: - 394 | t71, t716, t72, t73, t735, t74, t744, t751, t755, t76, t761, t77, t778, t78, t784, t788, & - | ^~~ -note: 't72' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:581:56: + 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & + | ^~~~~ +note: 't1785' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 581 | dQndrho = t247*t73 - t191*t263 + 2._dp*t266*t73 - | ^ -Warning: 't73' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:394:26: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't1790' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:79: - 394 | t71, t716, t72, t73, t735, t74, t744, t751, t755, t76, t761, t77, t778, t78, t784, t788, & - | ^~~ -note: 't73' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:582:23: + 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & + | ^~~~~ +note: 't1790' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2561:52: - 582 | t269 = t74*f89 - | ^ -Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:394:37: + 2561 | t5949 = 0.8999999998e1_dp*t1795*t4909 + | ^ +Warning: 't1795' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:302:93: - 394 | t71, t716, t72, t73, t735, t74, t744, t751, t755, t76, t761, t77, t778, t78, t784, t788, & - | ^~~ -note: 't74' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:670:70: + 302 | t1774, t1776, t1777, t1779, t178, t1782, t1784, t1785, t1787, t1789, t1790, t1794, t1795, & + | ^~~~~ +note: 't1795' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2509:58: - 670 | e_rho = e_rho + (-0.4e1_dp/0.3e1_dp*t269*t156 - t76*t423)*sx0 - | ^ -Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:394:60: + 2509 | t5810 = 0.1080000000e3_dp*t1143*t1801*t1410 + | ^ +Warning: 't1801' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:29: - 394 | t71, t716, t72, t73, t735, t74, t744, t751, t755, t76, t761, t77, t778, t78, t784, t788, & - | ^~~ -note: 't76' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:647:24: + 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & + | ^~~~~ +note: 't1801' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: - 647 | t394 = t78*t165 - | ^ -Warning: 't78' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:394:82: + 1966 | *t478*t183*t3918 + | ^ +Warning: 't1811' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:57: - 394 | t71, t716, t72, t73, t735, t74, t744, t751, t755, t76, t761, t77, t778, t78, t784, t788, & - | ^~~ -note: 't78' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:592:85: + 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & + | ^~~~~ +note: 't1811' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29: - 592 | *t282) - t147*t285 - | ^ -Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:395:10: + 1976 | *t3382 + | ^ +Warning: 't1821' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:303:84: - 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & - | ^~~ -note: 't79' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:586:24: + 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & + | ^~~~~ +note: 't1821' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2637:62: - 586 | t278 = t231*t80 - | ^ -Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:395:25: + 2637 | t6123 = 0.1666666667e0_dp*t1246*t446*t1825*t561 + | ^ +Warning: 't1825' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:17: - 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & - | ^~~ -note: 't80' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:677:53: + 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & + | ^~~~~ +note: 't1825' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2505:40: - 677 | t435 = 2._dp*t426*t81 + t79*t430 - t147*t433 - | ^ -Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:395:30: + 2505 | t5797 = t1373*t1962*t1829 + | ^ +Warning: 't1829' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:31: - 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & - | ^~~ -note: 't81' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:685:49: + 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & + | ^~~~~ +note: 't1829' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2538:37: - 685 | *t435 + 3._dp*t105*t93*t435) - | ^ -Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:395:47: + 2538 | t5888 = t60*t1836*t709 + | ^ +Warning: 't1836' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:58: - 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & - | ^~~ -note: 't83' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:650:24: + 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & + | ^~~~~ +note: 't1836' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: - 650 | t400 = t188*t84 - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:395:52: + 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 + | ^ +Warning: 't1837' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:65: - 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & - | ^~~ -note: 't84' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:598:35: + 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & + | ^~~~~ +note: 't1837' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1997:67: - 598 | t300 = t297*t66 - t86*t284 - | ^ -Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:395:75: + 1997 | *t1774*t1712 + 0.7407407410e-1_dp*t719*t1119 + | ^ +Warning: 't1838' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:72: - 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & - | ^~~ -note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:596:24: + 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & + | ^~~~~ +note: 't1838' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2036:32: - 596 | t294 = t231*t88 - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:396:16: + 2036 | t4498 = t56*t1843 + | ^ +Warning: 't1843' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:304:86: - 396 | t878, t88, t887, t888, t889, t89, t9, t905, t91, t910, t911 - | ^~~ -note: 't88' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:681:41: + 304 | t1824, t1825, t1828, t1829, t183, t1832, t1835, t1836, t1837, t1838, t1842, t1843, t1849, & + | ^~~~~ +note: 't1843' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2633:58: - 681 | t446 = 2._dp*t426*t89 + t79*t444 - | ^ -Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:396:39: + 2633 | t6109 = 0.1666666667e0_dp*t1246*t1962*t1865 + | ^ +Warning: 't1865' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:45: - 396 | t878, t88, t887, t888, t889, t89, t9, t905, t91, t910, t911 - | ^~~ -note: 't89' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:525:32: + 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & + | ^~~~~ +note: 't1865' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 525 | t172 = 0.1e1_dp/t9/t170 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:396:44: + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 + | ^ +Warning: 't1875' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:305:79: - 396 | t878, t88, t887, t888, t889, t89, t9, t905, t91, t910, t911 - | ^~ -note: 't9' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:607:43: + 305 | t1852, t1854, t1858, t1861, t1864, t1865, t1868, t187, t1871, t1874, t1875, t1878, t1881, & + | ^~~~~ +note: 't1875' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2358:43: - 607 | + 3._dp*t105*t93*t287) + 2358 | t5421 = t657*t1884*t59*t1975 | ^ -Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:396:54: +Warning: 't1884' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:10: - 396 | t878, t88, t887, t888, t889, t89, t9, t905, t91, t910, t911 - | ^~~ -note: 't91' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:669:59: + 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & + | ^~~~~ +note: 't1884' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36: - 669 | *t142*t384 + t145*(t387 + t412*t418))*Clda - | ^ -Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:397:24: + 2710 | t5011 + t5001 + | ^ +Warning: 't1885' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:17: - 397 | REAL(KIND=dp) :: t92, t923, t924, t93, t930, t933, t94, t95, t952, t956, t968, t97, t975, & - | ^~~ -note: 't92' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:638:29: + 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & + | ^~~~~ +note: 't1885' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: - 638 | t376 = t111*t93*t138 - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:397:41: + 2043 | + (2*t147*t1284*t672) + | ^ +Warning: 't1886' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:24: - 397 | REAL(KIND=dp) :: t92, t923, t924, t93, t930, t933, t94, t95, t952, t956, t968, t97, t975, & - | ^~~ -note: 't93' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:593:24: + 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & + | ^~~~~ +note: 't1886' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2457:58: - 593 | t288 = t94*t287 - | ^ -Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:397:58: + 2457 | t5666 = 0.1125000000e2_dp*t1302*t1892*t1410 + | ^ +Warning: 't1892' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:44: - 397 | REAL(KIND=dp) :: t92, t923, t924, t93, t930, t933, t94, t95, t952, t956, t968, t97, t975, & - | ^~~ -note: 't94' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:669:59: + 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & + | ^~~~~ +note: 't1892' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: - 669 | *t142*t384 + t145*(t387 + t412*t418))*Clda - | ^ -Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:397:63: + 1924 | t1320*t1483 + | ^ +Warning: 't1902' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:306:77: - 397 | REAL(KIND=dp) :: t92, t923, t924, t93, t930, t933, t94, t95, t952, t956, t968, t97, t975, & - | ^~~ -note: 't95' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & + | ^~~~~ +note: 't1902' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't158' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:63: + 1924 | t1320*t1483 + | ^ +Warning: 't1912' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:10: - 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & - | ^~~~ -note: 't158' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:726:70: + 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 + | ^~~~~ +note: 't1912' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: - 726 | *t550) - | ^ -Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:69: + 2052 | + 0.3333333334e0_dp*t165*t437*t1688 + | ^ +Warning: 't1924' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:51: - 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & - | ^~~~ -note: 't159' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:750:72: + 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 + | ^~~~~ +note: 't1924' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2643:38: - 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) - | ^ -Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:80: + 2643 | t6141 = t658*t575*t1925 + | ^ +Warning: 't1925' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:307:58: - 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & - | ^~~~ -note: 't160' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:737:49: + 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 + | ^~~~~ +note: 't1925' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2020:39: - 737 | t12*t61) - | ^ -Warning: 't163' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:86: + 2020 | *t429*t1928*t290 + | ^ +Warning: 't1928' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:24: - 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & - | ^~~~ -note: 't163' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & + | ^~~~~ +note: 't1928' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't164' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:376:92: + 2062 | *t3507 - t3512)*t149*t160 + | ^ +Warning: 't1932' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:31: - 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & - | ^~~~ -note: 't164' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:899:72: + 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & + | ^~~~~ +note: 't1932' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2043:44: - 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 - | ^ -Warning: 't165' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:10: + 2043 | + (2*t147*t1284*t672) + | ^ +Warning: 't1940' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:308:58: - 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & - | ^~~~ -note: 't165' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:750:72: + 308 | REAL(KIND=dp) :: t1928, t1932, t1938, t1939, t194, t1940, t1943, t1946, t195, t1952, t1954, & + | ^~~~~ +note: 't1940' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2633:58: - 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) - | ^ -Warning: 't166' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:16: + 2633 | t6109 = 0.1666666667e0_dp*t1246*t1962*t1865 + | ^ +Warning: 't1962' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:30: - 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & - | ^~~~ -note: 't166' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + | ^~~~~ +note: 't1962' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2622:57: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:34: + 2622 | t6087 = 0.1666666667e0_dp*t429*t1966*t1410 + | ^ +Warning: 't1966' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:44: - 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & - | ^~~~ -note: 't172' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + | ^~~~~ +note: 't1966' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2632:63: - 756 | (48._dp*t258*t215) - | ^ -Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:40: + 2632 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672 + | ^ +Warning: 't1971' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:58: - 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & - | ^~~~ -note: 't173' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:726:70: + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + | ^~~~~ +note: 't1971' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2632:63: - 726 | *t550) + 2632 | t6106 = 0.3600000000e2_dp*t1971*t1972*t1973*t672 + | ^ +Warning: 't1972' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:65: + + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + | ^~~~~ +note: 't1972' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: + + 2717 | + 0.4500000000e1_dp*t2009*t4744 + | ^ +Warning: 't1973' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:72: + + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + | ^~~~~ +note: 't1973' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2757:70: + + 2757 | + t5619 + t5622 - t5625 - t5628 + t5631 + t5716 | ^ -Warning: 't174' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:46: +Warning: 't1974' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:79: - 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & - | ^~~~ -note: 't174' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:720:25: + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + | ^~~~~ +note: 't1974' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2358:43: - 720 | t542 = t175*t169 - | ^ -Warning: 't175' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:52: + 2358 | t5421 = t657*t1884*t59*t1975 + | ^ +Warning: 't1975' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:309:86: - 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & - | ^~~~ -note: 't175' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: + 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & + | ^~~~~ +note: 't1975' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: - 756 | (48._dp*t258*t215) - | ^ -Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:58: + 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 + | ^ +Warning: 't1981' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:17: - 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & - | ^~~~ -note: 't176' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: + 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & + | ^~~~~ +note: 't1981' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2479:56: - 756 | (48._dp*t258*t215) - | ^ -Warning: 't180' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:69: + 2479 | t5722 = 0.1111111111e0_dp*t165*t689*t1988 + | ^ +Warning: 't1988' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:38: - 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & - | ^~~~ -note: 't180' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & + | ^~~~~ +note: 't1988' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1896:32: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:75: + 1896 | t3875 = t45*t2002 + | ^ +Warning: 't2002' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:10: - 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & - | ^~~~ -note: 't183' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^~~~~ +note: 't2002' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: - 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) - | ^ -Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:81: + 2717 | + 0.4500000000e1_dp*t2009*t4744 + | ^ +Warning: 't2009' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:24: - 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & - | ^~~~ -note: 't184' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:748:53: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^~~~~ +note: 't2009' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: - 748 | t227 + 0.6e1_dp*t68*t69*t632*t71 - | ^ -Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:87: + 2717 | + 0.4500000000e1_dp*t2009*t4744 + | ^ +Warning: 't2013' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:31: - 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & - | ^~~~ -note: 't185' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:728:33: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^~~~~ +note: 't2013' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: - 728 | t566 = 0.1e1_dp/t187/t65 - | ^ -Warning: 't187' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:377:93: + 2717 | + 0.4500000000e1_dp*t2009*t4744 + | ^ +Warning: 't2014' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:38: - 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & - | ^~~~ -note: 't187' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:804:25: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^~~~~ +note: 't2014' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2717:54: - 804 | t930 = t183*t188 - | ^ -Warning: 't188' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:10: + 2717 | + 0.4500000000e1_dp*t2009*t4744 + | ^ +Warning: 't2018' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & - | ^~~~ -note: 't188' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:751:25: + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:45: - 751 | t655 = t246*t190 - | ^ -Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:21: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^~~~~ +note: 't2018' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:579:28: - 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & - | ^~~~ -note: 't190' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: + 579 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & + | ^~~~ +note: 't100' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) - | ^ -Warning: 't191' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:27: + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:579:34: - 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & - | ^~~~ -note: 't191' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:770:63: + 579 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & + | ^~~~ +note: 't101' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 770 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 - | ^ -Warning: 't192' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:33: + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:579:40: - 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & - | ^~~~ -note: 't192' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:737:49: + 579 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & + | ^~~~ +note: 't102' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2234:38: - 737 | t12*t61) - | ^ -Warning: 't193' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:39: + 2234 | + t5032 + t5035 + | ^ +Warning: 't2022' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:664:22: - 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & - | ^~~~ -note: 't193' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:738:24: + 664 | t108 = t4*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:581:40: - 738 | t620 = t199*t13 - | ^ -Warning: 't199' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:45: + 581 | t161, t164, t165, t166, t169, t17, t170, t172, t173, t19, t199, t2, t20, t202, t207, & + | ^~~ +note: 't17' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:52: - 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & - | ^~~~ -note: 't199' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^~~~~ +note: 't2022' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:705:21: - 756 | (48._dp*t258*t215) - | ^ -Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:60: + 705 | *t166 + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:581:63: - 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & - | ^~~~ -note: 't200' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:737:49: + 581 | t161, t164, t165, t166, t169, t17, t170, t172, t173, t19, t199, t2, t20, t202, t207, & + | ^~~ +note: 't19' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 737 | t12*t61) - | ^ -Warning: 't201' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:66: + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:582:22: - 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & - | ^~~~ -note: 't201' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:737:49: + 582 | t208, t209, t21, t217, t218, t22, t220, t227, t229, t23, t234, t246, t249, t252, t255, & + | ^~~ +note: 't21' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:669:22: - 737 | t12*t61) - | ^ -Warning: 't202' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:72: + 669 | t118 = t26**2 + | ^ +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:16: - 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & - | ^~~~ -note: 't202' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: + 583 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & + | ^~~ +note: 't26' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:707:22: - 756 | (48._dp*t258*t215) - | ^ -Warning: 't203' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:78: + 707 | t207 = t28**2 + | ^ +Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:62: - 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & - | ^~~~ -note: 't203' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:737:49: + 583 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & + | ^~~ +note: 't28' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29: - 737 | t12*t61) - | ^ -Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:84: + 2779 | *t6271 + | ^ +Warning: 't2027' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: - 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & - | ^~~~ -note: 't207' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: + 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:84: - 756 | (48._dp*t258*t215) - | ^ -Warning: 't209' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:90: + 583 | t259, t26, t263, t267, t27, t271, t274, t275, t276, t28, t29, t293, t295, t3, t304, t307, & + | ^~ +note: 't3' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:59: - 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & - | ^~~~ -note: 't209' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^~~~~ +note: 't2027' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:747:46: - 756 | (48._dp*t258*t215) - | ^ -Warning: 't215' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:15: + 747 | /0.2e1_dp))*sx + | ^ +Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:584:32: - 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & - | ^~~~ -note: 't215' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:904:33: + 584 | t308, t32, t320, t33, t34, t340, t341, t342, t344, t346, t349, t35, t350, t353, t354, & + | ^~~ +note: 't34' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:685:26: - 904 | *t148*t404*t1117 - | ^ -Warning: 't218' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:21: + 685 | t157 = t3*t44*t35 + | ^ +Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:584:73: - 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & - | ^~~~ -note: 't218' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:748:53: + 584 | t308, t32, t320, t33, t34, t340, t341, t342, t344, t346, t349, t35, t350, t353, t354, & + | ^~~ +note: 't35' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:753:23: - 748 | t227 + 0.6e1_dp*t68*t69*t632*t71 - | ^ -Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:27: + 753 | t349 = t36*t47 + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41: - 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & - | ^~~~ -note: 't219' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: + 2795 | *t5228*t2117*t2028 + | ^ +Warning: 't2028' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:585:22: - 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) - | ^ -Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:38: + 585 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 + | ^~~ +note: 't36' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:66: - 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & - | ^~~~ -note: 't220' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^~~~~ +note: 't2028' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:688:32: - 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) - | ^ -Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:44: + 688 | t164 = 0.1e1_dp/t55/t37 + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:585:57: - 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & - | ^~~~ -note: 't222' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:748:53: + 585 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 + | ^~~ +note: 't37' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2744:46: - 748 | t227 + 0.6e1_dp*t68*t69*t632*t71 - | ^ -Warning: 't223' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:50: + 2744 | *t27*t6291*t172 - t5397 + | ^ +Warning: 't2031' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & - | ^~~~ -note: 't223' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:860:26: + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:79: - 860 | t1082 = t425*t224 - | ^ -Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:56: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^~~~~ +note: 't2031' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:585:68: - 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & - | ^~~~ -note: 't224' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:899:72: + 585 | t357, t358, t36, t361, t362, t365, t366, t367, t37, t379, t38 + | ^~~ +note: 't38' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:721:22: - 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 - | ^ -Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:62: + 721 | t246 = t4*t38 + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: - 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & - | ^~~~ -note: 't225' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: + 2811 | *t60*t2124*t709 - t6044 + | ^ +Warning: 't2032' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:86: - 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) - | ^ -Warning: 't228' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:74: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^~~~~ +note: 't2032' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:586:41: - 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & - | ^~~~ -note: 't228' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: + 586 | REAL(KIND=dp) :: t381, t387, t39, t4, t401, t42, t422, t43, t434, t435, t436, t44, t448, & + | ^~ +note: 't4' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:736:58: - 869 | - t147*t148*t1114 - | ^ -Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:80: + 736 | *t267 - 0.80e2_dp/0.729e3_dp*t84*t157*t271 + | ^ +Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: - 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & - | ^~~~ -note: 't231' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: + 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) + | ^ +Warning: 't2035' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:586:85: - 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) - | ^ -Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:86: + 586 | REAL(KIND=dp) :: t381, t387, t39, t4, t401, t42, t422, t43, t434, t435, t436, t44, t448, & + | ^~~ +note: 't44' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:311:93: - 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & - | ^~~~ -note: 't233' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:750:72: + 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & + | ^~~~~ +note: 't2035' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:755:23: - 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) - | ^ -Warning: 't236' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:92: + 755 | t353 = t45*t56 + | ^ +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:10: - 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & - | ^~~~ -note: 't236' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:750:72: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^~~ +note: 't45' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:675:25: - 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) - | ^ -Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:10: + 675 | t134 = t47*gamma + | ^ +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2765:63: - 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & - | ^~~~ -note: 't237' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:905:30: + 2765 | *t575*t161*t1447 + t5773 + t5776 + t5780 + | ^ +Warning: 't2042' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:10: - 905 | t1352 = 0.1e1_dp/t240 - | ^ -Warning: 't240' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:21: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^~~~~ +note: 't2042' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:21: - 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & - | ^~~~ -note: 't240' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:750:72: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^~~ +note: 't47' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:748:22: - 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) - | ^ -Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:27: + 748 | t340 = t5*t38 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:37: - 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & - | ^~~~ -note: 't241' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:750:72: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^~ +note: 't5' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2830:73: - 750 | - 0.16e2_dp/0.3e1_dp*t241*t173*t176 - (16._dp*t242*t180) - | ^ -Warning: 't242' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:33: + 2830 | t43*t46*t6339 + t8*(t6344 + t6380 + t6389 + t6665) + | ^ +Warning: 't2046' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:687:22: - 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & - | ^~~~ -note: 't242' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:906:33: + 687 | t161 = t3*t53 + | ^ +Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:17: - 906 | t1358 = t1059*t1060*t245 - | ^ -Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:39: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^~~~~ +note: 't2046' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:51: - 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & - | ^~~~ -note: 't245' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:770:63: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^~~ +note: 't53' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:757:23: - 770 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 - | ^ -Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:45: + 757 | t357 = t54*t66 + | ^ +Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2826:132: - 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & - | ^~~~ -note: 't246' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: + 2826 | + t6442 + t6451 + t6461 + t6479 + t6490 + t6499 + t6658) + | ^ +Warning: 't2050' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:56: - 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) - | ^ -Warning: 't247' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:51: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^~~ +note: 't54' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:24: - 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & - | ^~~~ -note: 't247' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^~~~~ +note: 't2050' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:688:32: - 756 | (48._dp*t258*t215) - | ^ -Warning: 't249' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:57: + 688 | t164 = 0.1e1_dp/t55/t37 + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:61: - 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & - | ^~~~ -note: 't249' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^~~ +note: 't55' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2726:40: + + 2726 | *t1054*t640*t3679 + | ^ +Warning: 't2054' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:678:25: - 756 | (48._dp*t258*t215) - | ^ -Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:68: + 678 | t142 = t56*gamma + | ^ +Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:31: - 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & - | ^~~~ -note: 't250' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^~~~~ +note: 't2054' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:66: - 756 | (48._dp*t258*t215) - | ^ -Warning: 't253' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:74: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^~~ +note: 't56' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:759:24: - 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & - | ^~~~ -note: 't253' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: + 759 | t361 = t64*t164 + | ^ +Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2722:79: - 756 | (48._dp*t258*t215) - | ^ -Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:80: + 2722 | *t327*t2057*t557 - t5456 + t5459 - t5462 + t5466 - t5468 + | ^ +Warning: 't2057' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:91: - 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & - | ^~~~ -note: 't254' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:756:34: + 587 | t45, t450, t47, t471, t48, t5, t51, t52, t53, t54, t55, t56, t57, t61, t62, t63, t64, & + | ^~~ +note: 't64' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:683:25: - 756 | (48._dp*t258*t215) - | ^ -Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:380:86: + 683 | t152 = t66*gamma + | ^ +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:38: - 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & - | ^~~~ -note: 't258' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:936:56: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^~~~~ +note: 't2057' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:10: - 936 | *t148*t983*t1372 - t147*t148*t404*t1395 - | ^ -Warning: 't261' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:10: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^~~ +note: 't66' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:722:24: - 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & - | ^~~~ -note: 't261' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: + 722 | t249 = t120*t70 + | ^ +Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:20: - 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) - | ^ -Warning: 't262' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:16: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^~~ +note: 't70' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: - 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & - | ^~~~ -note: 't262' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:770:63: + 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:25: - 770 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 - | ^ -Warning: 't263' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:22: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^~~ +note: 't71' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: - 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & - | ^~~~ -note: 't263' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:770:63: + 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2732:78: - 770 | *t192*t735 + 2._dp*t32*t66*t4*t14*t192 - | ^ -Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:28: + 2732 | - t5595 + t5597 - t5600 - t5602 + t5604 + t5607 + t5610 + | ^ +Warning: 't2058' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:45: - 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & - | ^~~~ -note: 't265' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:763:65: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^~~~~ +note: 't2058' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:55: - 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) - | ^ -Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:34: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^~~ +note: 't87' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:783:24: - 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & - | ^~~~ -note: 't266' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:919:88: + 783 | t436 = t435*t88 + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:60: - 919 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t269*t520 - t76*t1369*Clda)*sx0 - | ^ -Warning: 't269' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:40: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^~~ +note: 't88' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2806:69: - 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & - | ^~~~ -note: 't269' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: + 2806 | *t2061*t561 + 0.8999999998e1_dp*t178*t62*t6375 + | ^ +Warning: 't2061' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:52: - 869 | - t147*t148*t1114 - | ^ -Warning: 't272' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:46: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^~~~~ +note: 't2061' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:690:23: - 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & - | ^~~~ -note: 't272' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: + 690 | t166 = t165*t9 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:70: - 869 | - t147*t148*t1114 - | ^ -Warning: 't274' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:52: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^~ +note: 't9' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & - | ^~~~ -note: 't274' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2754:90: - 869 | - t147*t148*t1114 - | ^ -Warning: 't275' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:58: + 2754 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421 + | ^ +Warning: 't2074' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:72: - 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & - | ^~~~ -note: 't275' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^~~~~ +note: 't2074' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:74: - 869 | - t147*t148*t1114 - | ^ -Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:64: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^~~ +note: 't91' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: - 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & - | ^~~~ -note: 't278' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:825:51: + 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: - 825 | *(t628)*(t391) + (4._dp*t394*t406) - | ^ -Warning: 't281' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:75: + 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) + | ^ +Warning: 't2077' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:79: - 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & - | ^~~~ -note: 't281' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^~~ +note: 't92' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:79: - 869 | - t147*t148*t1114 - | ^ -Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:81: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^~~~~ +note: 't2077' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:710:27: - 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & - | ^~~~ -note: 't282' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: + 710 | t217 = t21*t91*t93 + | ^ +Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:84: - 869 | - t147*t148*t1114 - | ^ -Warning: 't284' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:87: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^~~ +note: 't93' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2769:38: - 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & - | ^~~~ -note: 't284' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: + 2769 | - t6090 + t6094 + | ^ +Warning: 't2081' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:86: - 869 | - t147*t148*t1114 - | ^ -Warning: 't285' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:93: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^~~~~ +note: 't2081' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & - | ^~~~ -note: 't285' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:89: - 918 | + t412*t1362 + t412*t1365)) - | ^ -Warning: 't287' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:10: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^~~ +note: 't94' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: - 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 - | ^~~~ -note: 't287' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:904:33: + 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) + | ^ +Warning: 't2082' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:720:74: - 904 | *t148*t404*t1117 - | ^ -Warning: 't288' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:16: + 720 | *t199/0.2e1_dp - t71*t88*t227*t96/0.2e1_dp))*sx + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:94: - 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 - | ^~~~ -note: 't288' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:787:132: + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & + | ^~~ +note: 't95' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:93: - 787 | *t553*t66 - 2._dp*t297*t284 + 2._dp*t86*t784 - t86*t788)) - | ^ -Warning: 't290' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:27: + 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & + | ^~~~~ +note: 't2082' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 - | ^~~~ -note: 't290' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:873:93: + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't96' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:589:10: - 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) - | ^ -Warning: 't291' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:33: + 589 | t96, t97, yval + | ^~~ +note: 't96' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 - | ^~~~ -note: 't291' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:873:93: + 793 | + t71*t234*t448/0.2e1_dp - t71*t88*t471*t96/0.2e1_dp))*sx + | ^ +Warning: 't97' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:589:15: - 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) - | ^ -Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:39: + 589 | t96, t97, yval + | ^~~ +note: 't97' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2821:76: - 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 - | ^~~~ -note: 't294' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:873:93: + 2821 | + 0.1666666667e0_dp*t6144 + t6155 - t6158 + (2*t6160) + | ^ +Warning: 't2088' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:17: - 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) - | ^ -Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:45: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^~~~~ +note: 't2088' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82: - 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 - | ^~~~ -note: 't297' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:787:132: + 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 + | ^ +Warning: 't2095' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:24: - 787 | *t553*t66 - 2._dp*t297*t284 + 2._dp*t86*t784 - t86*t788)) - | ^ -Warning: 't300' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:55: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^~~~~ +note: 't2095' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41: - 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 - | ^~~~ -note: 't300' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:873:93: + 2795 | *t5228*t2117*t2028 + | ^ +Warning: 't2098' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:31: - 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) - | ^ -Warning: 't301' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:61: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^~~~~ +note: 't2098' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29: - 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 - | ^~~~ -note: 't301' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: + 2779 | *t6271 + | ^ +Warning: 't2099' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:38: - 892 | *t71*t678)/0.2e1_dp) - | ^ -Warning: 't303' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:67: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^~~~~ +note: 't2099' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2801:60: - 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 - | ^~~~ -note: 't303' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: + 2801 | t6260 + 0.8999999998e1_dp*t5229*t2104 + | ^ +Warning: 't2104' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:45: - 918 | + t412*t1362 + t412*t1365)) - | ^ -Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:24: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^~~~~ +note: 't2104' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: - 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & - | ^~~~ -note: 't304' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 2811 | *t60*t2124*t709 - t6044 + | ^ +Warning: 't2113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:59: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:30: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^~~~~ +note: 't2113' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82: - 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & - | ^~~~ -note: 't306' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: + 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 + | ^ +Warning: 't2114' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:66: - 918 | + t412*t1362 + t412*t1365)) - | ^ -Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:36: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^~~~~ +note: 't2114' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2795:41: - 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & - | ^~~~ -note: 't307' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: + 2795 | *t5228*t2117*t2028 + | ^ +Warning: 't2117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:73: - 892 | *t71*t678)/0.2e1_dp) - | ^ -Warning: 't314' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:47: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^~~~~ +note: 't2117' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82: - 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & - | ^~~~ -note: 't314' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: + 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 + | ^ +Warning: 't2118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:80: - 892 | *t71*t678)/0.2e1_dp) - | ^ -Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:58: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^~~~~ +note: 't2118' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: - 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & - | ^~~~ -note: 't321' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:789:24: + 2811 | *t60*t2124*t709 - t6044 + | ^ +Warning: 't2124' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:87: - 789 | t854 = t323*t83 - | ^ -Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:64: + 313 | t2086, t2088, t2095, t2098, t2099, t2104, t2107, t2113, t2114, t2117, t2118, t2124, & + | ^~~~~ +note: 't2124' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2791:82: - 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & - | ^~~~ -note: 't323' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 2791 | *t719*t2126 - t5973 + t5975 + 0.5999999999e1_dp*t2114*t6257 + | ^ +Warning: 't2126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:10: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:70: + 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 + | ^~~~~ +note: 't2126' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2754:90: - 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & - | ^~~~ -note: 't326' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: + 2754 | t5418 + 0.1800000000e2_dp*t658*t575*t2074 + 0.1800000000e2_dp*t5421 + | ^ +Warning: 't2131' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:24: - 892 | *t71*t678)/0.2e1_dp) - | ^ -Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:383:76: + 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 + | ^~~~~ +note: 't2131' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2739:79: - 383 | REAL(KIND=dp) :: t304, t306, t307, t31, t314, t32, t321, t323, t326, t327, t33, t330, t334, & - | ^~~~ -note: 't327' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 2739 | *t6181 - t6185 + t6189 - t6192 - 0.3333333336e0_dp*t6194 + | ^ +Warning: 't2139' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:38: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't336' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:16: + 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 + | ^~~~~ +note: 't2139' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2102:56: - 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & - | ^~~~ -note: 't336' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:797:25: + 2102 | t4704 = 0.3333333336e0_dp*t2147*t84*t4701 + | ^ +Warning: 't2147' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:58: - 797 | t888 = t338*t887 - | ^ -Warning: 't338' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:28: + 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 + | ^~~~~ +note: 't2147' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: - 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & - | ^~~~ -note: 't338' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 + | ^ +Warning: 't2182' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:315:43: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:34: + 315 | REAL(KIND=dp) :: t2169, t217, t218, t2182, t2183, t2187, t219, t2190, t2193, t2196, t2197, & + | ^~~~~ +note: 't2182' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1851:40: - 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & - | ^~~~ -note: 't339' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:877:45: + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't2220' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:316:55: - 877 | + t888*t148*t889*t261) - | ^ -Warning: 't340' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:45: + 316 | t22, t220, t2200, t2201, t2204, t2205, t221, t2220, t2226, t2227, t2230, t224, t225, & + | ^~~~~ +note: 't2220' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: - 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & - | ^~~~ -note: 't340' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 2080 | *t289*t294*t1553 + | ^ +Warning: 't2404' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:82: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:51: + 319 | t2319, t2326, t233, t234, t2351, t2368, t237, t2378, t2382, t2392, t24, t2404, t2418, & + | ^~~~~ +note: 't2404' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2383:57: - 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & - | ^~~~ -note: 't342' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:800:30: + 2383 | t5472 = 0.3200000001e2_dp*t321*t2455*t5079 + | ^ +Warning: 't2455' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:44: - 800 | t910 = t119*t343*t123 - | ^ -Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:57: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^~~~~ +note: 't2455' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & - | ^~~~ -note: 't343' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't2468' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:51: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't344' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:63: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^~~~~ +note: 't2468' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2253:66: - 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & - | ^~~~ -note: 't344' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 2253 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 + | ^ +Warning: 't2480' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:58: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't345' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:69: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^~~~~ +note: 't2480' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: - 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & - | ^~~~ -note: 't345' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 + | ^ +Warning: 't2492' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:71: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:75: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^~~~~ +note: 't2492' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & - | ^~~~ -note: 't347' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't2537' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:89: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't355' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:81: + 320 | t2424, t2437, t2439, t245, t2451, t2455, t2468, t2480, t249, t2492, t25, t250, t2537, & + | ^~~~~ +note: 't2537' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1833:32: - 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & - | ^~~~ -note: 't355' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:801:27: + 1833 | t3668 = t2552*t23 + | ^ +Warning: 't2552' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:10: - 801 | t911 = sscale*t356 - | ^ -Warning: 't356' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:87: + 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 + | ^~~~~ +note: 't2552' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: - 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & - | ^~~~ -note: 't356' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 2401 | *t5511 + 0.1200000000e3_dp*t1055*t2565*t4721 + | ^ +Warning: 't2565' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:17: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:384:93: + 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 + | ^~~~~ +note: 't2565' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1859:33: - 384 | t335, t336, t337, t338, t339, t34, t340, t342, t343, t344, t345, t347, t355, t356, t357, & - | ^~~~ -note: 't357' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: + 1859 | t3750 = t2585*t136 + | ^ +Warning: 't2585' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:38: - 869 | - t147*t148*t1114 - | ^ -Warning: 't358' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:10: + 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 + | ^~~~~ +note: 't2585' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2372:57: - 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & - | ^~~~ -note: 't358' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 2372 | t5449 = 0.1173333333e3_dp*t307*t2611*t5065 + | ^ +Warning: 't2611' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:321:56: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't359' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:16: + 321 | t2552, t2565, t2569, t2576, t2585, t26, t260, t2611, t262, t2621, t2622 + | ^~~~~ +note: 't2611' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: - 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & - | ^~~~ -note: 't359' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: + 2088 | *t83*t45*t3581*t140 + | ^ +Warning: 't2631' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:24: - 892 | *t71*t678)/0.2e1_dp) - | ^ -Warning: 't361' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:27: + 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & + | ^~~~~ +note: 't2631' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: - 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & - | ^~~~ -note: 't361' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 2080 | *t289*t294*t1553 + | ^ +Warning: 't2636' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:38: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't362' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:33: + 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & + | ^~~~~ +note: 't2636' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2071:60: - 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & - | ^~~~ -note: 't362' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: + 2071 | + 0.2500000000e0_dp*t1981*t2707*t1410 + | ^ +Warning: 't2707' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:88: - 892 | *t71*t678)/0.2e1_dp) - | ^ -Warning: 't363' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:39: + 322 | REAL(KIND=dp) :: t2631, t2635, t2636, t264, t2645, t2655, t266, t267, t268, t27, t2707, & + | ^~~~~ +note: 't2707' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: - 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & - | ^~~~ -note: 't363' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: + 2035 | *t1246*t3244*t1483 + | ^ +Warning: 't2720' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:16: - 892 | *t71*t678)/0.2e1_dp) - | ^ -Warning: 't367' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:45: + 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + | ^~~~~ +note: 't2720' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2347:59: - 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & - | ^~~~ -note: 't367' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: + 2347 | t5383 = 0.4166666667e-1_dp*t2763*t1247*t5002 + | ^ +Warning: 't2763' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:56: - 892 | *t71*t678)/0.2e1_dp) - | ^ -Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:51: + 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + | ^~~~~ +note: 't2763' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: - 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & - | ^~~~ -note: 't368' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:806:25: + 1911 | *t400*t1333*t1410 + | ^ +Warning: 't2808' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:83: - 806 | t952 = t372*t136 - | ^ -Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:62: + 323 | t271, t2720, t2724, t2732, t274, t275, t2759, t2763, t2779, t278, t2783, t2808, t2816, & + | ^~~~~ +note: 't2808' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36: - 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & - | ^~~~ -note: 't372' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: + 2710 | t5011 + t5001 + | ^ +Warning: 't2821' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:16: - 918 | + t412*t1362 + t412*t1365)) - | ^ -Warning: 't374' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:68: + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + | ^~~~~ +note: 't2821' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: - 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & - | ^~~~ -note: 't374' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: + 1911 | *t400*t1333*t1410 + | ^ +Warning: 't2823' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:23: - 918 | + t412*t1362 + t412*t1365)) - | ^ -Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:74: + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + | ^~~~~ +note: 't2823' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1924:34: - 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & - | ^~~~ -note: 't376' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: + 1924 | t1320*t1483 + | ^ +Warning: 't2873' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:64: - 918 | + t412*t1362 + t412*t1365)) - | ^ -Warning: 't377' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:80: + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + | ^~~~~ +note: 't2873' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2344:39: - 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & - | ^~~~ -note: 't377' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: + 2344 | t5373 = t2885*t446*t5371 + | ^ +Warning: 't2885' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:78: - 918 | + t412*t1362 + t412*t1365)) - | ^ -Warning: 't381' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:86: + 324 | t282, t2821, t2823, t283, t2833, t2843, t2853, t2869, t2873, t2877, t2885, t289, t290, & + | ^~~~~ +note: 't2885' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2052:58: - 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & - | ^~~~ -note: 't381' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 2052 | + 0.3333333334e0_dp*t165*t437*t1688 + | ^ +Warning: 't2937' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:17: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:385:92: + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^~~~~ +note: 't2937' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2779:29: - 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & - | ^~~~ -note: 't383' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: + 2779 | *t6271 + | ^ +Warning: 't2992' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:48: - 918 | + t412*t1362 + t412*t1365)) - | ^ -Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:10: + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^~~~~ +note: 't2992' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: - 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & - | ^~~~ -note: 't384' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: + 1966 | *t478*t183*t3918 + | ^ +Warning: 't2994' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:55: - 869 | - t147*t148*t1114 - | ^ -Warning: 't388' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:22: + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^~~~~ +note: 't2994' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: - 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & - | ^~~~ -note: 't388' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:899:72: + 1966 | *t478*t183*t3918 + | ^ +Warning: 't2998' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:62: - 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 - | ^ -Warning: 't390' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:33: + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^~~~~ +note: 't2998' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1966:39: - 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & - | ^~~~ -note: 't390' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:899:72: + 1966 | *t478*t183*t3918 + | ^ +Warning: 't3030' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:82: - 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 - | ^ -Warning: 't391' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:39: + 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & + | ^~~~~ +note: 't3030' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: - 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & - | ^~~~ -note: 't391' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: + 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 + | ^ +Warning: 't3097' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:56: - 869 | - t147*t148*t1114 - | ^ -Warning: 't394' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:45: + 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & + | ^~~~~ +note: 't3097' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2035:41: - 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & - | ^~~~ -note: 't394' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:783:26: + 2035 | *t1246*t3244*t1483 + | ^ +Warning: 't3244' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:61: - 783 | *t148*t788 - | ^ -Warning: 't397' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:51: + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^~~~~ +note: 't3244' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: - 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & - | ^~~~ -note: 't397' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:899:72: + 2062 | *t3507 - t3512)*t149*t160 + | ^ +Warning: 't3248' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:68: - 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 - | ^ -Warning: 't398' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:57: + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^~~~~ +note: 't3248' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1933:32: - 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & - | ^~~~ -note: 't398' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:825:51: + 1933 | t4025 = t3262*t57 + | ^ +Warning: 't3262' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:81: - 825 | *(t628)*(t391) + (4._dp*t394*t406) - | ^ -Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:72: + 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & + | ^~~~~ +note: 't3262' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1882:32: - 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & - | ^~~~ -note: 't400' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:904:33: + 1882 | t3842 = t3278*t46 + | ^ +Warning: 't3278' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:23: - 904 | *t148*t404*t1117 - | ^ -Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:78: + 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 + | ^~~~~ +note: 't3278' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1748:63: - 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & - | ^~~~ -note: 't401' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:904:33: + 1748 | e_rho_rho_rho(ii) = e_rho_rho_rho(ii) + t3291*sx + | ^ +Warning: 't3291' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:49: - 904 | *t148*t404*t1117 - | ^ -Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:84: + 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 + | ^~~~~ +note: 't3291' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2113:55: - 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & - | ^~~~ -note: 't402' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:825:51: + 2113 | t4732 = 0.6666666672e0_dp*t747*t84*t4729 + | ^ +Warning: 't747' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:86: - 825 | *(t628)*(t391) + (4._dp*t394*t406) - | ^ -Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:90: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^~~~ +note: 't747' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & - | ^~~~ -note: 't404' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:904:33: + 2099 | t3869 + t4657 + t4696) + | ^ +Warning: 't753' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:393:92: - 904 | *t148*t404*t1117 - | ^ -Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:10: + 393 | t71, t710, t713, t716, t719, t722, t723, t728, t729, t732, t735, t739, t74, t747, t753, & + | ^~~~ +note: 't753' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + 2099 | t3869 + t4657 + t4696) + | ^ +Warning: 't754' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:10: + + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^~~~ -note: 't405' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:904:33: +note: 't754' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 904 | *t148*t404*t1117 - | ^ -Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:16: + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't764' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:16: - 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^~~~ -note: 't406' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: - - 918 | + t412*t1362 + t412*t1365)) - | ^ -Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:22: - - 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & - | ^~~~ -note: 't408' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: +note: 't764' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1771:57: - 918 | + t412*t1362 + t412*t1365)) - | ^ -Warning: 't409' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:28: + 1771 | *t102*t3363 - 0.20e1_dp*t102*t3379 + | ^ +Warning: 't766' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:28: - 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^~~~ -note: 't409' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:827:27: +note: 't766' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 827 | t1056 = t410*t1055 - | ^ -Warning: 't410' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:34: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't769' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:34: - 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^~~~ -note: 't410' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: +note: 't769' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 955 | *t1365)) - | ^ -Warning: 't411' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:40: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't772' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:40: - 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^~~~ -note: 't411' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:918:132: +note: 't772' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - 918 | + t412*t1362 + t412*t1365)) - | ^ -Warning: 't412' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:46: + 1832 | *t3339 + | ^ +Warning: 't773' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:46: - 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & | ^~~~ -note: 't412' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: +note: 't773' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1899:32: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:52: + 1899 | t3925 = t777*t561 + | ^ +Warning: 't777' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:58: - 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & - | ^~~~ -note: 't413' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:907:35: + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^~~~ +note: 't777' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32: - 907 | t1362 = t414*t415*t261*t83 - | ^ -Warning: 't414' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:58: + 1765 | t12*t1058 + | ^ +Warning: 't782' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:69: - 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & - | ^~~~ -note: 't414' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:907:35: + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^~~~ +note: 't782' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2156:59: - 907 | t1362 = t414*t415*t261*t83 - | ^ -Warning: 't415' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:64: + 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 + | ^ +Warning: 't786' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:81: - 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & - | ^~~~ -note: 't415' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:908:31: + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^~~~ +note: 't786' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2108:42: - 908 | t1365 = t414*t416*t435 - | ^ -Warning: 't416' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:70: + 2108 | t4721 = 0.1e1_dp/t787*t2480 + | ^ +Warning: 't787' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:87: - 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & - | ^~~~ -note: 't416' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: + 394 | t754, t764, t765, t766, t769, t772, t773, t776, t777, t78, t782, t785, t786, t787, t79, & + | ^~~~ +note: 't787' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1765:32: - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:76: + 1765 | t12*t1058 + | ^ +Warning: 't797' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:34: - 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & - | ^~~~ -note: 't417' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^~~~ +note: 't797' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 955 | *t1365)) - | ^ -Warning: 't418' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:82: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't800' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:44: - 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & - | ^~~~ -note: 't418' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:858:55: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^~~~ +note: 't800' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 858 | - t76*t1073*Clda)*sx0 - | ^ -Warning: 't423' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:93: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't801' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:50: - 387 | t405, t406, t408, t409, t410, t411, t412, t413, t414, t415, t416, t417, t418, t42, t423, & - | ^~~~ -note: 't423' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:899:72: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^~~~ +note: 't801' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 - | ^ -Warning: 't425' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:10: + 2099 | t3869 + t4657 + t4696) + | ^ +Warning: 't804' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:56: - 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & - | ^~~~ -note: 't425' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:869:34: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^~~~ +note: 't804' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: - 869 | - t147*t148*t1114 - | ^ -Warning: 't426' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:16: + 1784 | t165*t171*t3449 + | ^ +Warning: 't815' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:62: - 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & - | ^~~~ -note: 't426' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:899:72: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^~~~ +note: 't815' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: - 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 - | ^ -Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:22: + 1911 | *t400*t1333*t1410 + | ^ +Warning: 't822' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:68: - 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & - | ^~~~ -note: 't429' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:926:32: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^~~~ +note: 't822' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: - 926 | t147*t148*t1392 - | ^ -Warning: 't430' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:28: + 1784 | t165*t171*t3449 + | ^ +Warning: 't827' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:80: - 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & - | ^~~~ -note: 't430' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:928:112: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^~~~ +note: 't827' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2062:71: - 928 | t66 - 2._dp*t440*t432 + 2._dp*t86*t1388 - t86*t1392) - | ^ -Warning: 't432' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:34: + 2062 | *t3507 - t3512)*t149*t160 + | ^ +Warning: 't833' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:91: - 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & - | ^~~~ -note: 't432' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:926:32: + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & + | ^~~~ +note: 't833' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1788:56: - 926 | t147*t148*t1392 - | ^ -Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:40: + 1788 | t3497 = 0.2400000000e2_dp*t473*t852*t1483 + | ^ +Warning: 't852' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:26: - 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & - | ^~~~ -note: 't433' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^~~~ +note: 't852' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1976:29: - 955 | *t1365)) - | ^ -Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:46: + 1976 | *t3382 + | ^ +Warning: 't859' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:44: - 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & - | ^~~~ -note: 't435' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:928:112: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^~~~ +note: 't859' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 928 | t66 - 2._dp*t440*t432 + 2._dp*t86*t1388 - t86*t1392) - | ^ -Warning: 't440' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:57: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't863' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:61: - 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & - | ^~~~ -note: 't440' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:873:93: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^~~~ +note: 't863' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1941:66: - 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) - | ^ -Warning: 't443' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:63: + 1941 | *t1722 + 0.3703703706e0_dp*t1193*t1505*t451 + | ^ +Warning: 't864' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:67: - 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & - | ^~~~ -note: 't443' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:928:112: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^~~~ +note: 't864' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1815:56: - 928 | t66 - 2._dp*t440*t432 + 2._dp*t86*t1388 - t86*t1392) - | ^ -Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:69: + 1815 | - 0.5000000001e0_dp*t60*t865*t709 + | ^ +Warning: 't865' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:73: - 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & - | ^~~~ -note: 't444' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^~~~ +note: 't865' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1955:37: - 955 | *t1365)) - | ^ -Warning: 't446' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:75: + 1955 | *t58*t3796*t71 + | ^ +Warning: 't866' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:79: - 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & - | ^~~~ -note: 't446' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: + 396 | t84, t85, t851, t852, t855, t857, t859, t86, t862, t863, t864, t865, t866, t867, t87, & + | ^~~~ +note: 't866' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1991:66: - 955 | *t1365)) - | ^ -Warning: 't447' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:81: + 1991 | *t719*t1122 + 0.7407407410e-1_dp*t508*t1726 + | ^ +Warning: 't874' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:10: - 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & - | ^~~~ -note: 't447' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^~~~ +note: 't874' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2011:66: - 955 | *t1365)) - | ^ -Warning: 't449' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:87: + 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 + | ^ +Warning: 't878' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:22: - 388 | t425, t426, t429, t430, t432, t433, t435, t44, t440, t443, t444, t446, t447, t449, t46, & - | ^~~~ -note: 't449' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^~~~ +note: 't878' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1948:70: - 955 | *t1365)) - | ^ -Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:10: + 1948 | *t508*t1769 - 0.1111111112e0_dp*t192*t1837*t267 + | ^ +Warning: 't882' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:39: - 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 - | ^~~~ -note: 't463' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^~~~ +note: 't882' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1815:56: - 955 | *t1365)) - | ^ -Warning: 't465' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:16: + 1815 | - 0.5000000001e0_dp*t60*t865*t709 + | ^ +Warning: 't886' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:45: - 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 - | ^~~~ -note: 't465' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^~~~ +note: 't886' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 892 | *t71*t678)/0.2e1_dp) - | ^ -Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:33: + 2099 | t3869 + t4657 + t4696) + | ^ +Warning: 't893' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:57: - 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 - | ^~~~ -note: 't472' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:877:45: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^~~~ +note: 't893' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: - 877 | + t888*t148*t889*t261) - | ^ -Warning: 't475' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:39: + 2080 | *t289*t294*t1553 + | ^ +Warning: 't897' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:69: - 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 - | ^~~~ -note: 't475' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^~~~ +note: 't897' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: - 955 | *t1365)) - | ^ -Warning: 't476' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:45: + 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 + | ^ +Warning: 't906' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:85: - 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 - | ^~~~ -note: 't476' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^~~~ +note: 't906' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: - 892 | *t71*t678)/0.2e1_dp) - | ^ -Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:51: + 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 + | ^ +Warning: 't907' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:91: - 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 - | ^~~~ -note: 't478' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: + 397 | t874, t877, t878, t88, t881, t882, t886, t889, t893, t894, t897, t9, t905, t906, t907, & + | ^~~~ +note: 't907' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2088:42: - 892 | *t71*t678)/0.2e1_dp) - | ^ -Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:57: + 2088 | *t83*t45*t3581*t140 + | ^ +Warning: 't914' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:10: - 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 - | ^~~~ -note: 't479' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^~~~ +note: 't914' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2027:66: - 955 | *t1365)) - | ^ -Warning: 't480' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:63: + 2027 | *t1410 - 0.1666666667e0_dp*t429*t1392*t1410 + | ^ +Warning: 't918' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:16: - 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 - | ^~~~ -note: 't480' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^~~~ +note: 't918' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1894:39: - 955 | *t1365)) - | ^ -Warning: 't484' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:69: + 1894 | *t165*t3865*t237 + | ^ +Warning: 't922' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:27: - 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 - | ^~~~ -note: 't484' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^~~~ +note: 't922' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 955 | *t1365)) - | ^ -Warning: 't485' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:24: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't929' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:45: - 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & - | ^~~~ -note: 't485' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:893:26: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^~~~ +note: 't929' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 893 | t1263 = t489*t136 - | ^ -Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:30: + 1866 | *t339*t969 + | ^ +Warning: 't930' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:56: - 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & - | ^~~~ -note: 't489' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^~~~ +note: 't930' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1844:31: - 955 | *t1365)) - | ^ -Warning: 't491' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:36: + 1844 | t3682 = t24*t940 + | ^ +Warning: 't940' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:67: - 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & - | ^~~~ -note: 't491' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^~~~ +note: 't940' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 955 | *t1365)) - | ^ -Warning: 't495' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:42: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't941' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:73: - 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & - | ^~~~ -note: 't495' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: + 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 + | ^~~~ +note: 't941' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 955 | *t1365)) - | ^ -Warning: 't497' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:48: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't946' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:36: - 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & - | ^~~~ -note: 't497' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:926:32: + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^~~~ +note: 't946' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 926 | t147*t148*t1392 - | ^ -Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:64: + 1866 | *t339*t969 + | ^ +Warning: 't949' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:42: - 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & - | ^~~~ -note: 't501' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:926:32: + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^~~~ +note: 't949' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 926 | t147*t148*t1392 - | ^ -Warning: 't504' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:70: + 1866 | *t339*t969 + | ^ +Warning: 't950' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:53: - 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & - | ^~~~ -note: 't504' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:936:56: + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^~~~ +note: 't950' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2430:56: - 936 | *t148*t983*t1372 - t147*t148*t404*t1395 + 2430 | t5593 = 0.1066666667e2_dp*t321*t953*t5087 | ^ -Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:76: +Warning: 't953' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:59: - 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & - | ^~~~ -note: 't505' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:936:56: + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^~~~ +note: 't953' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 936 | *t148*t983*t1372 - t147*t148*t404*t1395 - | ^ -Warning: 't507' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:82: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't955' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:71: - 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & - | ^~~~ -note: 't507' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:936:56: + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^~~~ +note: 't955' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - 936 | *t148*t983*t1372 - t147*t148*t404*t1395 - | ^ -Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:88: + 1832 | *t3339 + | ^ +Warning: 't959' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:83: - 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & - | ^~~~ -note: 't508' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:936:56: + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^~~~ +note: 't959' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 936 | *t148*t983*t1372 - t147*t148*t404*t1395 - | ^ -Warning: 't510' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:94: + 1866 | *t339*t969 + | ^ +Warning: 't962' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:89: - 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & - | ^~~~ -note: 't510' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:936:56: + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & + | ^~~~ +note: 't962' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - 936 | *t148*t983*t1372 - t147*t148*t404*t1395 - | ^ -Warning: 't511' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:10: + 1832 | *t3339 + | ^ +Warning: 't963' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:10: - 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^~~~ -note: 't511' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: +note: 't963' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 955 | *t1365)) - | ^ -Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:16: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't966' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:16: - 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^~~~ -note: 't513' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: +note: 't966' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 955 | *t1365)) - | ^ -Warning: 't514' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:22: + 1866 | *t339*t969 + | ^ +Warning: 't969' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:22: - 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & | ^~~~ -note: 't514' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: +note: 't969' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 955 | *t1365)) - | ^ -Warning: 't515' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:28: + 1866 | *t339*t969 + | ^ +Warning: 't973' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:39: - 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & - | ^~~~ -note: 't515' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:919:88: + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^~~~ +note: 't973' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 919 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t269*t520 - t76*t1369*Clda)*sx0 - | ^ -Warning: 't520' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:39: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't974' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:45: - 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & - | ^~~~ -note: 't520' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5671:94: + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^~~~ +note: 't974' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) - | ^ -Warning: 'dqndrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:369:63: + 1866 | *t339*t969 + | ^ +Warning: 't976' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:57: - 369 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^~~~~~~ -note: 'dqndrho' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5635:90: + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^~~~ +note: 't976' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 5635 | 1.0_dp/Q*(dQrho*dQndrho + d2Qrhondrho) + 1.0_dp/(Q*Q)*dQrho*dQndrho - | ^ -Warning: 'dqrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:369:72: + 1872 | *t1582*t801 - 0.2133333334e2_dp*t321*t953*t1631 + | ^ +Warning: 't980' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:74: - 369 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^~~~~ -note: 'dqrho' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_se.mod' due to: target does not exist -true + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^~~~ +note: 't980' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: + + 1832 | *t3339 + | ^ +Warning: 't984' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:86: + + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^~~~ +note: 't984' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't987' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:92: + + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^~~~ +note: 't987' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't991' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:15: + + 401 | t99, t991, t995, t997, xx + | ^~~~ +note: 't991' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2389:54: + + 2389 | t5487 = 0.2160000000e3_dp*t7*t995*t1652 + | ^ +Warning: 't995' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:21: + + 401 | t99, t991, t995, t997, xx + | ^~~~ +note: 't995' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: + + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't997' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:401:27: + + 401 | t99, t991, t995, t997, xx + | ^~~~ +note: 't997' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4750:24: 4750 | t256 = t1*ndrho @@ -34792,6 +32687,7 @@ 4541 | t1111, t1118, t113, t114, t115, t1155, t1157, t116, t117, t1174, t118, t1181, t1184, & | ^~~~ note: 't117' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_thomas_fermi.mod' due to: target does not exist /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4886:115: 4886 | *t400*t519) + 0.3e1_dp/0.2e1_dp*(t400)*(t522))*t145 @@ -34802,6 +32698,7 @@ 4541 | t1111, t1118, t113, t114, t115, t1155, t1157, t116, t117, t1174, t118, t1181, t1184, & | ^~~~ note: 't118' was declared here +true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4703:23: 4703 | t177 = t12*rho @@ -35979,1256 +33876,3373 @@ Warning: 't252' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4551:68: - 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 - | ^~~~ -note: 't252' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4945:72: + 4551 | t235, t238, t239, t24, t240, t241, t246, t248, t249, t25, t252 + | ^~~~ +note: 't252' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4945:72: + + 4945 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) + | ^ +Warning: 't253' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:24: + + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^~~~ +note: 't253' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4963:46: + + 4963 | + 30._dp*a5*t21*t54*t65) + | ^ +Warning: 't256' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:30: + + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^~~~ +note: 't256' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4945:72: + + 4945 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) + | ^ +Warning: 't257' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:36: + + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^~~~ +note: 't257' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4945:72: + + 4945 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) + | ^ +Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:42: + + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^~~~ +note: 't258' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4943:24: + + 4943 | t667 = t14*t261 + | ^ +Warning: 't261' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:48: + + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^~~~ +note: 't261' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4956:42: + + 4956 | t171*t706 - t210*t171*t723 + | ^ +Warning: 't262' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:54: + + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^~~~ +note: 't262' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4966:42: + + 4966 | t171*t752 - t210*t171*t769 + | ^ +Warning: 't263' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:60: + + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^~~~ +note: 't263' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4950:132: + + 4950 | t229) - (48._dp*t274*t235)) + | ^ +Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:66: + + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^~~~ +note: 't265' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4950:132: + + 4950 | t229) - (48._dp*t274*t235)) + | ^ +Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:72: + + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^~~~ +note: 't266' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4950:132: + + 4950 | t229) - (48._dp*t274*t235)) + | ^ +Warning: 't269' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:78: + + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^~~~ +note: 't269' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4950:132: + + 4950 | t229) - (48._dp*t274*t235)) + | ^ +Warning: 't270' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:89: + + 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & + | ^~~~ +note: 't270' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4950:132: + + 4950 | t229) - (48._dp*t274*t235)) + | ^ +Warning: 't274' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:10: + + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^~~~ +note: 't274' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4956:42: + + 4956 | t171*t706 - t210*t171*t723 + | ^ +Warning: 't277' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:16: + + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^~~~ +note: 't277' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5161:111: + + 5161 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) + | ^ +Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:22: + + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^~~~ +note: 't278' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4966:42: + + 4966 | t171*t752 - t210*t171*t769 + | ^ +Warning: 't279' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:28: + + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^~~~ +note: 't279' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: + + 5152 | *t155*t44*t726 + | ^ +Warning: 't281' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:39: + + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^~~~ +note: 't281' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5153:97: + + 5153 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t283*t545 - t80*(t1319 + t1443)*Clda)*sx + | ^ +Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:45: + + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^~~~ +note: 't283' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: + + 5152 | *t155*t44*t726 + | ^ +Warning: 't286' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:51: + + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^~~~ +note: 't286' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4989:132: + + 4989 | *t610*t68 - 2._dp*t296*t239 + 2._dp*t85*t620 - t85*t655)) + | ^ +Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:57: + + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^~~~ +note: 't289' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5103:132: + + 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) + | ^ +Warning: 't290' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:68: + + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^~~~ +note: 't290' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5103:132: + + 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) + | ^ +Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:74: + + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^~~~ +note: 't293' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5103:132: + + 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) + | ^ +Warning: 't296' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:80: + + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^~~~ +note: 't296' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4989:132: + + 4989 | *t610*t68 - 2._dp*t296*t239 + 2._dp*t85*t620 - t85*t655)) + | ^ +Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:86: + + 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & + | ^~~~ +note: 't299' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5103:132: + + 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) + | ^ +Warning: 't300' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:10: + + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^~~~ +note: 't300' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5028:25: + + 5028 | t985 = t140*t302 + | ^ +Warning: 't302' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:16: + + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^~~~ +note: 't302' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: + + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't303' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:22: + + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^~~~ +note: 't303' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5073:101: + + 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) + | ^ +Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:28: + + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^~~~ +note: 't305' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: + + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:34: + + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^~~~ +note: 't306' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5010:132: + + 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) + | ^ +Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:40: + + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^~~~ +note: 't309' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: + + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't310' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:51: + + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^~~~ +note: 't310' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: + + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:57: + + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^~~~ +note: 't313' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5010:132: + + 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) + | ^ +Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:63: + + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^~~~ +note: 't316' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5010:132: + + 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) + | ^ +Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:74: + + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^~~~ +note: 't321' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5010:132: + + 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) + | ^ +Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:80: + + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^~~~ +note: 't326' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: + + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:86: + + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^~~~ +note: 't327' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5024:25: + + 5024 | t956 = t136*t329 + | ^ +Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:92: + + 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + | ^~~~ +note: 't329' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5064:26: + + 5064 | t1089 = t330*t333 + | ^ +Warning: 't330' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:10: + + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^~~~ +note: 't330' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4969:33: + + 4969 | t782 = 0.1e1_dp/t332/t82 + | ^ +Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:22: + + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^~~~ +note: 't332' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5073:101: + + 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) + | ^ +Warning: 't333' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:28: + + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^~~~ +note: 't333' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: + + 5152 | *t155*t44*t726 + | ^ +Warning: 't334' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:34: + + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^~~~ +note: 't334' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5196:67: + + 5196 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) + | ^ +Warning: 't340' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:45: + + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^~~~ +note: 't340' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5023:23: + + 5023 | *(t939) + | ^ +Warning: 't341' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:51: + + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^~~~ +note: 't341' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5116:35: + + 5116 | *t487 + t1205*t342 + | ^ +Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:57: + + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^~~~ +note: 't342' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5050:31: + + 5050 | t1065 = t106*t333*t345 + | ^ +Warning: 't345' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:63: + + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^~~~ +note: 't345' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5099:61: + + 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 + | ^ +Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:69: + + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^~~~ +note: 't346' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: + + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:80: + + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^~~~ +note: 't350' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: + + 5152 | *t155*t44*t726 + | ^ +Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:86: + + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^~~~ +note: 't351' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5099:61: + + 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 + | ^ +Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:92: + + 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & + | ^~~~ +note: 't352' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4996:116: + + 4996 | *t807) + | ^ +Warning: 't355' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:10: + + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^~~~ +note: 't355' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5116:35: + + 5116 | *t487 + t1205*t342 + | ^ +Warning: 't359' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:16: + + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^~~~ +note: 't359' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4996:116: + + 4996 | *t807) + | ^ +Warning: 't360' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:27: + + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^~~~ +note: 't360' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5099:61: + + 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 + | ^ +Warning: 't367' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:33: + + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^~~~ +note: 't367' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4996:116: + + 4996 | *t807) + | ^ +Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:39: + + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^~~~ +note: 't368' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5116:35: + + 5116 | *t487 + t1205*t342 + | ^ +Warning: 't369' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:45: + + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^~~~ +note: 't369' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5177:58: + + 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) + | ^ +Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:51: + + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^~~~ +note: 't372' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5099:61: + + 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 + | ^ +Warning: 't373' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:57: + + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^~~~ +note: 't373' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4999:25: + + 4999 | t865 = t864*t374 + | ^ +Warning: 't374' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:63: + + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^~~~ +note: 't374' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5099:61: + + 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 + | ^ +Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:69: + + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^~~~ +note: 't375' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5073:101: + + 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) + | ^ +Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:75: + + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^~~~ +note: 't379' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: + + 5152 | *t155*t44*t726 + | ^ +Warning: 't382' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:86: + + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^~~~ +note: 't382' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5041:24: + + 5041 | *(t872) + | ^ +Warning: 't388' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:92: + + 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + | ^~~~ +note: 't388' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: + + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:10: + + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^~~~ +note: 't389' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5135:65: + + 5135 | *t1270 + 0.5e1_dp/0.2e1_dp*(t388)*(t393)*(t1198) + | ^ +Warning: 't390' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:21: + + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^~~~ +note: 't390' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5196:67: + + 5196 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) + | ^ +Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:27: + + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^~~~ +note: 't393' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5135:65: + + 5135 | *t1270 + 0.5e1_dp/0.2e1_dp*(t388)*(t393)*(t1198) + | ^ +Warning: 't394' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:33: + + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^~~~ +note: 't394' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5041:24: + + 5041 | *(t872) + | ^ +Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:43: + + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^~~~ +note: 't400' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5041:24: + + 5041 | *(t872) + | ^ +Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:49: + + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^~~~ +note: 't401' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5142:58: + + 5142 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1184) + | ^ +Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:55: + + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^~~~ +note: 't402' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbeef.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5189:80: + + 5189 | *t367*t405*t1552) + | ^ +Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:61: + + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^~~~ +note: 't405' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5142:58: + + 5142 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1184) + | ^ +Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:67: + + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^~~~ +note: 't406' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5073:101: + + 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) + | ^ +Warning: 't410' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:78: + + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^~~~ +note: 't410' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: + + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't412' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:84: + + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^~~~ +note: 't412' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5062:107: + + 5062 | t1065*t422*t1066*t350) + (5._dp*t1071*t423) + | ^ +Warning: 't415' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:90: + + 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + | ^~~~ +note: 't415' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: + + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:10: + + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^~~~ +note: 't417' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5052:26: + + 5052 | t1071 = t330*t420 + | ^ +Warning: 't420' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:21: + + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^~~~ +note: 't420' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5073:101: + + 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) + | ^ +Warning: 't421' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:27: + + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^~~~ +note: 't421' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: + + 5152 | *t155*t44*t726 + | ^ +Warning: 't422' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:33: + + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^~~~ +note: 't422' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: + + 5152 | *t155*t44*t726 + | ^ +Warning: 't423' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:39: + + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^~~~ +note: 't423' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5073:101: + + 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) + | ^ +Warning: 't426' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:45: + + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^~~~ +note: 't426' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: + + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't427' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:51: + + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^~~~ +note: 't427' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: + + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:57: + + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^~~~ +note: 't428' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5046:30: + + 5046 | t1040 = t75/t433/t160 + | ^ +Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:69: + + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^~~~ +note: 't433' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: + + 5183 | *t421*t422*t1533 + | ^ +Warning: 't434' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:75: + + 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 + | ^~~~ +note: 't434' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: + + 5183 | *t421*t422*t1533 + | ^ +Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:24: + + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^~~~ +note: 't435' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5049:27: + + 5049 | t1049 = t437*t1048 + | ^ +Warning: 't437' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:30: + + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^~~~ +note: 't437' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: + + 5183 | *t421*t422*t1533 + | ^ +Warning: 't438' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:36: + + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^~~~ +note: 't438' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: + + 5152 | *t155*t44*t726 + | ^ +Warning: 't439' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:42: + + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^~~~ +note: 't439' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5075:64: + + 5075 | - t80*(t1074 + t1118)*Clda)*sx + | ^ +Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:59: + + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^~~~ +note: 't444' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5161:111: + + 5161 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) + | ^ +Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:65: + + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^~~~ +note: 't450' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5103:132: + + 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) + | ^ +Warning: 't453' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:71: + + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^~~~ +note: 't453' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5161:111: + + 5161 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) + | ^ +Warning: 't454' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:77: + + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^~~~ +note: 't454' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5136:26: + + 5136 | t1413 = t140*t456 + | ^ +Warning: 't456' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:83: + + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^~~~ +note: 't456' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: + + 5183 | *t421*t422*t1533 + | ^ +Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:89: + + 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & + | ^~~~ +note: 't457' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: + + 5183 | *t421*t422*t1533 + | ^ +Warning: 't459' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:10: + + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^~~~ +note: 't459' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: + + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:21: + + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^~~~ +note: 't464' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: + + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't465' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:27: + + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^~~~ +note: 't465' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: + + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't468' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:33: + + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^~~~ +note: 't468' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: + + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't469' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:39: + + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^~~~ +note: 't469' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: + + 5080 | - (16._dp*t469*t203)) + | ^ +Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:45: + + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^~~~ +note: 't472' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5158:90: + + 5158 | *t19 + 12._dp*g3*t1*t24*t32) + | ^ +Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:51: + + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^~~~ +note: 't473' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5128:26: + + 5128 | t1382 = t136*t475 + | ^ +Warning: 't475' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:57: + + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^~~~ +note: 't475' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: + + 5183 | *t421*t422*t1533 + | ^ +Warning: 't476' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:63: + + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^~~~ +note: 't476' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: + + 5183 | *t421*t422*t1533 + | ^ +Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:75: + + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^~~~ +note: 't478' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5196:67: + + 5196 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) + | ^ +Warning: 't484' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:86: + + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^~~~ +note: 't484' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5083:26: + + 5083 | t1181 = t931*t486 + | ^ +Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:92: + + 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & + | ^~~~ +note: 't486' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5196:67: + + 5196 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) + | ^ +Warning: 't487' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:10: + + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^~~~ +note: 't487' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5189:80: + + 5189 | *t367*t405*t1552) + | ^ +Warning: 't498' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:21: + + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^~~~ +note: 't498' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5109:26: + + 5109 | t1288 = t864*t500 + | ^ +Warning: 't500' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:31: + + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^~~~ +note: 't500' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5189:80: + + 5189 | *t367*t405*t1552) + | ^ +Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:37: + + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^~~~ +note: 't501' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: + + 5152 | *t155*t44*t726 + | ^ +Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:43: + + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^~~~ +note: 't505' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5177:58: + + 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) + | ^ +Warning: 't510' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:49: + + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^~~~ +note: 't510' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5177:58: + + 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) + | ^ +Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:55: + + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^~~~ +note: 't513' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5177:58: + + 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) + | ^ +Warning: 't519' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:61: + + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^~~~ +note: 't519' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5177:58: + + 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) + | ^ +Warning: 't522' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:67: + + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^~~~ +note: 't522' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: + + 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 + | ^ +Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:73: + + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^~~~ +note: 't526' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5202:132: + + 5202 | *t155*t44*t772) + | ^ +Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:79: + + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^~~~ +note: 't530' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5202:132: + + 5202 | *t155*t44*t772) + | ^ +Warning: 't533' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:85: + + 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + | ^~~~ +note: 't533' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: + + 5183 | *t421*t422*t1533 + | ^ +Warning: 't539' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4562:10: + + 4562 | t539, t54, t540, t544, t545, t548, t55, t553, t555, t557, t558, t56, t561, t563, t564, & + | ^~~~ +note: 't539' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: + + 5183 | *t421*t422*t1533 + | ^ +Warning: 't540' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4562:21: + + 4562 | t539, t54, t540, t544, t545, t548, t55, t553, t555, t557, t558, t56, t561, t563, t564, & + | ^~~~ +note: 't540' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5153:97: + + 5153 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t283*t545 - t80*(t1319 + t1443)*Clda)*sx + | ^ +Warning: 't545' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4562:33: + + 4562 | t539, t54, t540, t544, t545, t548, t55, t553, t555, t557, t558, t56, t561, t563, t564, & + | ^~~~ +note: 't545' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5671:94: + + 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) + | ^ +Warning: 'dqndrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4538:63: + + 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^~~~~~~ +note: 'dqndrho' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5635:90: + + 5635 | 1.0_dp/Q*(dQrho*dQndrho + d2Qrhondrho) + 1.0_dp/(Q*Q)*dQrho*dQndrho + | ^ +Warning: 'dqrho' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4538:72: + + 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & + | ^~~~~ +note: 'dqrho' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xalpha.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_fxc_kernel.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_fxc_kernel.F xc_fxc_kernel.F90 +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1184:69: + + 1184 | t117*t118*t172 + 0.3333333334e0_dp*t36*t38*t196 + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1035:71: + + 1035 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & + | ^~ +note: 't1' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1172:67: + + 1172 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1035:75: + + 1035 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, ndrho, rho, t1, t10, t100, t1002, t1009, & + | ^~~ +note: 't10' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1174:59: + + 1174 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:68: + + 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^~~ +note: 't11' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1172:67: + + 1172 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1037:77: + + 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^~~ +note: 't12' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1121:27: + + 1121 | t75 = t16**2 + | ^ +Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:42: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^~~ +note: 't16' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1120:28: + + 1120 | t72 = t71*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:59: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^~~ +note: 't17' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1174:59: + + 1174 | t172 = 0.40e1_dp*t11*t18 - 0.20e1_dp*t6*t169 + | ^ +Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:88: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^~~ +note: 't18' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1344:29: + + 1344 | t576 = t2*t501 + | ^ +Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:28: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^~ +note: 't2' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1148:28: + + 1148 | t126 = t21**2 + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:44: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^~~ +note: 't21' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1117:34: + + 1117 | t68 = rho*t22*omega + | ^ +Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:30: + + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^~~ +note: 't22' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1116:30: + + 1116 | t64 = t23*omega + | ^ +Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:59: + + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^~~ +note: 't23' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1170:84: + + 1170 | 0.2222222224e0_dp*t24*t98*t155)*sx + | ^ +Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:94: + + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^~~ +note: 't24' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1139:30: + + 1139 | t105 = t28*t104 + | ^ +Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:10: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^~~ +note: 't28' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1144:31: + + 1144 | t116 = omega*t29 + | ^ +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:39: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^~~ +note: 't29' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1172:67: + + 1172 | t168 = 0.60e1_dp*beta*t3*t12 + 0.60e1_dp*t11*t10*t86 + | ^ +Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:56: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^~ +note: 't3' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1142:26: + + 1142 | t109 + | ^ +Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:60: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^~~ +note: 't30' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1142:26: + + 1142 | t109 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:71: + + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^~~ +note: 't31' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1167:26: + + 1167 | t151 + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:16: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^~~ +note: 't36' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1152:28: + + 1152 | t132 = pi*t37 + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:33: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^~~ +note: 't37' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1167:26: + + 1167 | t151 + | ^ +Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:50: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^~~ +note: 't38' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1180:30: + + 1180 | t190 = t39*t172 + | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:73: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^~~ +note: 't39' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1150:30: + + 1150 | t128 = t40*t127 + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:90: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^~~ +note: 't40' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1182:59: + + 1182 | *t52 - 0.5000000001e0_dp*t41*t172*t46 + | ^ +Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:40: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^~~ +note: 't41' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1153:30: + + 1153 | t133 = t42*t132 + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:69: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^~~ +note: 't42' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1151:34: + + 1151 | t130 = t128*t43*t94 + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:86: + + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^~~ +note: 't43' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1137:49: + + 1137 | t103 = EXP(-0.9000000000e1_dp*t44) + | ^ +Warning: 't44' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:10: + + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^~~ +note: 't44' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1182:59: + + 1182 | *t52 - 0.5000000001e0_dp*t41*t172*t46 + | ^ +Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:39: + + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^~~ +note: 't46' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1164:58: + + 1164 | *t143 - 0.5555555558e-1_dp*t146*t148 + | ^ +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:36: + + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^~~ +note: 't47' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1161:30: + + 1161 | t147 = t49*t135 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:88: + + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^~~ +note: 't49' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1125:31: + + 1125 | t84 = 1 + t5*t10 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:16: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^~ +note: 't5' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1159:34: + + 1159 | t143 = t48*t141*t51 + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:44: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^~~ +note: 't51' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1182:59: + + 1182 | *t52 - 0.5000000001e0_dp*t41*t172*t46 + | ^ +Warning: 't52' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:67: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^~~ +note: 't52' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1167:26: + + 1167 | t151 + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:46: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^~~ +note: 't55' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1492:76: + + 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1052:28: + + 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^~~ +note: 't59' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1131:65: + + 1131 | t94 = -0.5333333333e1_dp*t6*t72 - 0.20e1_dp*t6*t91 + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1052:39: + + 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^~ +note: 't6' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1175:30: + + 1175 | t173 = t60*t172 + | ^ +Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1052:43: + + 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^~~ +note: 't60' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1124:35: + + 1124 | t79 = 0.1e1_dp/t1/t7 + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1053:67: + + 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^~ +note: 't7' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1179:29: + + 1179 | t186 = t8*t172 + | ^ +Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1054:60: + + 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^~ +note: 't8' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1353:35: + + 1353 | *t36*t38*t586 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:23: + + 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^~~~ +note: 't103' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1226:36: + + 1226 | t289 = omega*t104*t27 + | ^ +Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:29: + + 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^~~~ +note: 't104' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1353:35: + + 1353 | *t36*t38*t586 + | ^ +Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:42: + + 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^~~~ +note: 't105' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1282:66: + + 1282 | *t31*t404 - 0.5000000000e0_dp*t105*t109*t172 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:55: + + 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^~~~ +note: 't109' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1255:68: + + 1255 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 + | ^ +Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:80: + + 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^~~~ +note: 't112' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1311:70: + + 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1036:86: + + 1036 | t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, t1136, & + | ^~~~ +note: 't113' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1551:32: + + 1551 | t98*t1400 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1037:38: + + 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^~~~ +note: 't116' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1311:70: + + 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 + | ^ +Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1037:58: + + 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^~~~ +note: 't117' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1255:68: + + 1255 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 + | ^ +Warning: 't118' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1037:71: + + 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^~~~ +note: 't118' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1311:70: + + 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 + | ^ +Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1037:82: + + 1037 | t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, t1220, & + | ^~~~ +note: 't122' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1340:29: + + 1340 | t572 = t126**2 + | ^ +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:10: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^~~~ +note: 't126' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1297:30: + + 1297 | t473 = t94*t127 + | ^ +Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:16: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^~~~ +note: 't127' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1289:36: + + 1289 | t460 = t128*t132*t172 + | ^ +Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:22: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^~~~ +note: 't128' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1217:69: + + 1217 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 + | ^ +Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:35: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^~~~ +note: 't130' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1289:36: + + 1289 | t460 = t128*t132*t172 + | ^ +Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:41: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^~~~ +note: 't132' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1217:69: + + 1217 | t264 = 0.9000000000e1_dp*t130 - 0.6000000000e1_dp*t133 + | ^ +Warning: 't133' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:47: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^~~~ +note: 't133' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1302:30: + + 1302 | t489 = t41*t135 + | ^ +Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:74: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^~~~ +note: 't135' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1468:68: + + 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ +Warning: 't136' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:80: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^~~~ +note: 't136' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1250:63: + + 1250 | *t146*t347 - 0.5555555558e-1_dp*t146*t351 + | ^ +Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1038:86: + + 1038 | t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, t1370, & + | ^~~~ +note: 't137' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't140' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1039:17: + + 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & + | ^~~~ +note: 't140' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1243:35: + + 1243 | t343 = t141*t135*t46 + | ^ +Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1039:44: + + 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & + | ^~~~ +note: 't141' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1306:82: + + 1306 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 + | ^ +Warning: 't143' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1039:57: + + 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & + | ^~~~ +note: 't143' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1250:63: + + 1250 | *t146*t347 - 0.5555555558e-1_dp*t146*t351 + | ^ +Warning: 't146' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1039:77: + + 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & + | ^~~~ +note: 't146' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: + + 1475 | t41*t328*t466 + | ^ +Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1039:90: + + 1039 | t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, t147, & + | ^~~~ +note: 't147' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1306:82: + + 1306 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 + | ^ +Warning: 't148' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:17: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^~~~ +note: 't148' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1255:68: + + 1255 | t36*t122*t151 + 0.3333333334e0_dp*t36*t38*t354 + | ^ +Warning: 't151' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:23: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^~~~ +note: 't151' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1191:30: + + 1191 | t207 = t27*t155 + | ^ +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:29: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^~~~ +note: 't155' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1322:29: + + 1322 | t513 = t168**2 + | ^ +Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:47: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^~~~ +note: 't168' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1329:41: + + 1329 | - 0.20e1_dp*t6*t526 + | ^ +Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:53: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^~~~ +note: 't169' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1353:35: + + 1353 | *t36*t38*t586 + | ^ +Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:64: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^~~~ +note: 't172' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1316:79: + + 1316 | *t24*t98*t496)*sx + | ^ +Warning: 't173' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:70: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^~~~ +note: 't173' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1353:35: + + 1353 | *t36*t38*t586 + | ^ +Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:82: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^~~~ +note: 't177' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1348:64: + + 1348 | *t580*t52 - 0.5000000001e0_dp*t41*t529*t46 + | ^ +Warning: 't185' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1040:93: + + 1040 | t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, t185, & + | ^~~~ +note: 't185' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1311:70: + + 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 + | ^ +Warning: 't186' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:10: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^~~~ +note: 't186' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1306:82: + + 1306 | - 0.5555555558e-1_dp*t146*t486 - 0.5000000001e0_dp*t489*t466 + | ^ +Warning: 't190' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:16: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^~~~ +note: 't190' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1311:70: + + 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 + | ^ +Warning: 't196' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:22: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^~~~ +note: 't196' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1261:30: + + 1261 | t365 = t27*t200 + | ^ +Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:32: + + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^~~~ +note: 't200' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1316:79: + + 1316 | *t24*t98*t496)*sx + | ^ +Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1053:10: + + 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^~~ +note: 't64' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1259:104: + + 1259 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx + | ^ +Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1053:51: + + 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^~~ +note: 't68' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1210:47: + + 1210 | t251 = 0.1e1_dp/t1/t219/t69*t250 + | ^ +Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1053:62: + + 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^~~ +note: 't69' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1199:29: + + 1199 | t225 = t71*t76 + | ^ +Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1053:71: + + 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^~~ +note: 't71' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1274:72: + + 1274 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 + | ^ +Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1053:82: + + 1053 | t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, t735, & + | ^~~ +note: 't72' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1201:38: + + 1201 | t230 = 0.1e1_dp/t75/t16 + | ^ +Warning: 't75' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1054:22: + + 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^~~ +note: 't75' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1199:29: + + 1199 | t225 = t71*t76 + | ^ +Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1054:27: + + 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^~~ +note: 't76' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1327:30: + + 1327 | t526 = t77*t525 + | ^ +Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1054:38: + + 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^~~ +note: 't77' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1271:55: + + 1271 | t87 + 0.8000000000e1_dp*t393*t397 + | ^ +Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1054:43: + + 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^~~ +note: 't79' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1209:38: - 4945 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) - | ^ -Warning: 't253' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:24: + 1209 | t250 = 0.1e1_dp/t85/t84 + | ^ +Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1054:70: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^~~~ -note: 't253' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4963:46: + 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^~~ +note: 't84' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1209:38: - 4963 | + 30._dp*a5*t21*t54*t65) - | ^ -Warning: 't256' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:30: + 1209 | t250 = 0.1e1_dp/t85/t84 + | ^ +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1054:87: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^~~~ -note: 't256' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4945:72: + 1054 | t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, t857, & + | ^~~ +note: 't85' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1326:66: - 4945 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) - | ^ -Warning: 't257' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:36: + 1326 | t525 = 0.120e2_dp*t508*t86 - 0.60e1_dp*t6*t521*t250 + | ^ +Warning: 't86' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1055:10: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^~~~ -note: 't257' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4945:72: + 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^~~ +note: 't86' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1271:55: - 4945 | - 0.16e2_dp/0.3e1_dp*t257*t196*t199 - (16._dp*t258*t203) - | ^ -Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:42: + 1271 | t87 + 0.8000000000e1_dp*t393*t397 + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1055:27: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^~~~ -note: 't258' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4943:24: + 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^~~ +note: 't87' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1266:30: - 4943 | t667 = t14*t261 - | ^ -Warning: 't261' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:48: + 1266 | t383 = t230*t90 + | ^ +Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1055:38: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^~~~ -note: 't261' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4956:42: + 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^~~ +note: 't90' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1274:72: - 4956 | t171*t706 - t210*t171*t723 - | ^ -Warning: 't262' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:54: + 1274 | *t11*t91 + 0.40e1_dp*t382*t384 - 0.20e1_dp*t6*t401 + | ^ +Warning: 't91' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1055:43: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^~~~ -note: 't262' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4966:42: + 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^~~ +note: 't91' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1311:70: - 4966 | t171*t752 - t210*t171*t769 - | ^ -Warning: 't263' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:60: + 1311 | *t117*t297*t172 + 0.3333333334e0_dp*t36*t38*t492 + | ^ +Warning: 't94' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1055:54: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^~~~ -note: 't263' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4950:132: + 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^~~ +note: 't94' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1259:104: - 4950 | t229) - (48._dp*t274*t235)) - | ^ -Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:66: + 1259 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx + | ^ +Warning: 't95' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1055:59: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^~~~ -note: 't265' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4950:132: + 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^~~ +note: 't95' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1259:104: - 4950 | t229) - (48._dp*t274*t235)) - | ^ -Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:72: + 1259 | *t68*t259 - 0.2222222224e0_dp*t24*t98*t358)*sx + | ^ +Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1055:70: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^~~~ -note: 't266' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4950:132: + 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + | ^~~ +note: 't98' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1551:32: - 4950 | t229) - (48._dp*t274*t235)) - | ^ -Warning: 't269' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:78: + 1551 | t98*t1400 + | ^ +Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:38: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^~~~ -note: 't269' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4950:132: + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^~~~ +note: 't207' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1492:76: - 4950 | t229) - (48._dp*t274*t235)) - | ^ -Warning: 't270' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4552:89: + 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:49: - 4552 | REAL(KIND=dp) :: t253, t256, t257, t258, t261, t262, t263, t265, t266, t269, t27, t270, & - | ^~~~ -note: 't270' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4950:132: + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^~~~ +note: 't211' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1492:76: - 4950 | t229) - (48._dp*t274*t235)) - | ^ -Warning: 't274' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:10: + 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:55: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^~~~ -note: 't274' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4956:42: + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^~~~ +note: 't212' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1425:67: - 4956 | t171*t706 - t210*t171*t723 - | ^ -Warning: 't277' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:16: + 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ +Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:61: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^~~~ -note: 't277' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5161:111: + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^~~~ +note: 't213' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1425:67: - 5161 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) - | ^ -Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:22: + 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ +Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:67: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^~~~ -note: 't278' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4966:42: + 1041 | t186, t190, t196, t2, t200, t207, t21, t211, t212, t213, t216 + | ^~~~ +note: 't216' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1380:63: - 4966 | t171*t752 - t210*t171*t769 - | ^ -Warning: 't279' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:28: + 1380 | /t69*t669) + | ^ +Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:24: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^~~~ -note: 't279' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^~~~ +note: 't219' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1366:30: - 5152 | *t155*t44*t726 - | ^ -Warning: 't281' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:39: + 1366 | t628 = t221*t76 + | ^ +Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:35: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^~~~ -note: 't281' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5153:97: + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^~~~ +note: 't221' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: - 5153 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t283*t545 - t80*(t1319 + t1443)*Clda)*sx - | ^ -Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:45: + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:41: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^~~~ -note: 't283' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^~~~ +note: 't222' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: - 5152 | *t155*t44*t726 - | ^ -Warning: 't286' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:51: + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:47: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^~~~ -note: 't286' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4989:132: + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^~~~ +note: 't225' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: - 4989 | *t610*t68 - 2._dp*t296*t239 + 2._dp*t85*t620 - t85*t655)) - | ^ -Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:57: + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:53: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^~~~ -note: 't289' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5103:132: + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^~~~ +note: 't226' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: - 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) - | ^ -Warning: 't290' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:68: + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:64: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^~~~ -note: 't290' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5103:132: + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^~~~ +note: 't230' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: - 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) - | ^ -Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:74: + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't232' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:76: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^~~~ -note: 't293' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5103:132: + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^~~~ +note: 't232' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: - 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) - | ^ -Warning: 't296' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:80: + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:82: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^~~~ -note: 't296' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4989:132: + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^~~~ +note: 't233' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: - 4989 | *t610*t68 - 2._dp*t296*t239 + 2._dp*t85*t620 - t85*t655)) - | ^ -Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4553:86: + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:88: - 4553 | t274, t277, t278, t279, t28, t281, t283, t286, t289, t29, t290, t293, t296, t299, t3, & - | ^~~~ -note: 't299' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5103:132: + 1042 | REAL(kind=dp) :: t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, t24, & + | ^~~~ +note: 't237' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: - 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) - | ^ -Warning: 't300' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:10: + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:10: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^~~~ -note: 't300' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5028:25: +note: 't241' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: - 5028 | t985 = t140*t302 - | ^ -Warning: 't302' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:16: + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't244' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:16: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^~~~ -note: 't302' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: +note: 't244' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't303' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:22: + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:22: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^~~~ -note: 't303' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5073:101: +note: 't245' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: - 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) - | ^ -Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:28: + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:28: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^~~~ -note: 't305' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: +note: 't250' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:34: + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:34: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^~~~ -note: 't306' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5010:132: +note: 't251' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: - 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) - | ^ -Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:40: + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:40: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^~~~ -note: 't309' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: +note: 't254' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't310' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:51: + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't255' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:46: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^~~~ -note: 't310' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^~~~ +note: 't255' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1492:76: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:57: + 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:52: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^~~~ -note: 't313' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5010:132: + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^~~~ +note: 't258' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1425:67: - 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) - | ^ -Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:63: + 1425 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 + | ^ +Warning: 't259' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:58: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^~~~ -note: 't316' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5010:132: + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^~~~ +note: 't259' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: - 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) - | ^ -Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:74: + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't264' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:69: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^~~~ -note: 't321' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5010:132: + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^~~~ +note: 't264' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: - 5010 | /0.3e1_dp*t321*t603 + (20._dp*t100*t607)) - | ^ -Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:80: + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:75: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & - | ^~~~ -note: 't326' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + | ^~~~ +note: 't265' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1383:36: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:86: + 1383 | t722 = omega*t270*t27 + | ^ +Warning: 't270' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:86: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^~~~ -note: 't327' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5024:25: +note: 't270' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: - 5024 | t956 = t136*t329 - | ^ -Warning: 't329' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4554:92: + 1542 | *t36*t38*t1396 + | ^ +Warning: 't271' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:92: - 4554 | t300, t302, t303, t305, t306, t309, t31, t310, t313, t316, t32, t321, t326, t327, t329, & + 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & | ^~~~ -note: 't329' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5064:26: - - 5064 | t1089 = t330*t333 - | ^ -Warning: 't330' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:10: - - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^~~~ -note: 't330' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4969:33: - - 4969 | t782 = 0.1e1_dp/t332/t82 - | ^ -Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:22: - - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^~~~ -note: 't332' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5073:101: +note: 't271' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: - 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) - | ^ -Warning: 't333' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:28: + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't281' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:15: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^~~~ -note: 't333' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^~~~ +note: 't281' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: - 5152 | *t155*t44*t726 - | ^ -Warning: 't334' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:34: + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't284' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:21: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^~~~ -note: 't334' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5196:67: + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^~~~ +note: 't284' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: - 5196 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) - | ^ -Warning: 't340' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:45: + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't285' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:27: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^~~~ -note: 't340' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5023:23: + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^~~~ +note: 't285' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: - 5023 | *(t939) - | ^ -Warning: 't341' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:51: + 1542 | *t36*t38*t1396 + | ^ +Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:33: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^~~~ -note: 't341' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5116:35: + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^~~~ +note: 't289' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: - 5116 | *t487 + t1205*t342 - | ^ -Warning: 't342' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:57: + 1542 | *t36*t38*t1396 + | ^ +Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:44: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^~~~ -note: 't342' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5050:31: + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^~~~ +note: 't293' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: - 5050 | t1065 = t106*t333*t345 - | ^ -Warning: 't345' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:63: + 1542 | *t36*t38*t1396 + | ^ +Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:50: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^~~~ -note: 't345' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5099:61: + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^~~~ +note: 't297' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1483:76: - 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 - | ^ -Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:69: + 1483 | + t1136) + | ^ +Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:65: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^~~~ -note: 't346' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^~~~ +note: 't304' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:80: + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't312' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:82: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^~~~ -note: 't350' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^~~~ +note: 't312' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: - 5152 | *t155*t44*t726 - | ^ -Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:86: + 1542 | *t36*t38*t1396 + | ^ +Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:88: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^~~~ -note: 't351' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5099:61: + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^~~~ +note: 't313' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: - 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 - | ^ -Warning: 't352' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4555:92: + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:94: - 4555 | t330, t331, t332, t333, t334, t34, t340, t341, t342, t345, t346, t35, t350, t351, t352, & - | ^~~~ -note: 't352' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4996:116: + 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + | ^~~~ +note: 't316' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: - 4996 | *t807) - | ^ -Warning: 't355' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:10: + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't319' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:10: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^~~~ -note: 't355' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5116:35: +note: 't319' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: - 5116 | *t487 + t1205*t342 - | ^ -Warning: 't359' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:16: + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:16: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^~~~ -note: 't359' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4996:116: +note: 't321' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1461:38: - 4996 | *t807) - | ^ -Warning: 't360' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:27: + 1461 | *t128*t323*t172 + | ^ +Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:22: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^~~~ -note: 't360' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5099:61: + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^~~~ +note: 't323' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: - 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 - | ^ -Warning: 't367' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:33: + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:28: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^~~~ -note: 't367' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4996:116: + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^~~~ +note: 't325' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: - 4996 | *t807) - | ^ -Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:39: + 1475 | t41*t328*t466 + | ^ +Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:34: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^~~~ -note: 't368' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5116:35: + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^~~~ +note: 't326' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: - 5116 | *t487 + t1205*t342 - | ^ -Warning: 't369' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:45: + 1475 | t41*t328*t466 + | ^ +Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:40: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^~~~ -note: 't369' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5177:58: + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^~~~ +note: 't328' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1404:40: - 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) - | ^ -Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:51: + 1404 | REAL(t46, KIND=dp) + | ^ +Warning: 't330' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:46: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^~~~ -note: 't372' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5099:61: + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^~~~ +note: 't330' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1468:68: - 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 - | ^ -Warning: 't373' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:57: + 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ +Warning: 't335' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:52: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^~~~ -note: 't373' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4999:25: + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^~~~ +note: 't335' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: - 4999 | t865 = t864*t374 - | ^ -Warning: 't374' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:63: + 1475 | t41*t328*t466 + | ^ +Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:58: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^~~~ -note: 't374' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5099:61: + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^~~~ +note: 't339' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: - 5099 | t1224*t375 - t110*t1155*t83*t118 + t920*t484 - | ^ -Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:69: + 1475 | t41*t328*t466 + | ^ +Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:69: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^~~~ -note: 't375' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5073:101: +note: 't343' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1404:40: - 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) - | ^ -Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:75: + 1404 | REAL(t46, KIND=dp) + | ^ +Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:75: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & | ^~~~ -note: 't379' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: +note: 't346' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: - 5152 | *t155*t44*t726 - | ^ -Warning: 't382' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:86: + 1475 | t41*t328*t466 + | ^ +Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:81: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^~~~ -note: 't382' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5041:24: + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^~~~ +note: 't347' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: - 5041 | *(t872) - | ^ -Warning: 't388' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4556:92: + 1475 | t41*t328*t466 + | ^ +Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:87: - 4556 | t355, t359, t36, t360, t367, t368, t369, t372, t373, t374, t375, t379, t38, t382, t388, & - | ^~~~ -note: 't388' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^~~~ +note: 't351' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't389' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:10: + 1419 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't354' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:93: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^~~~ +note: 't354' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1361:30: + + 1361 | t601 = t27*t358 + | ^ +Warning: 't358' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:10: + + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^~~~ -note: 't389' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5135:65: +note: 't358' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1584:49: - 5135 | *t1270 + 0.5e1_dp/0.2e1_dp*(t388)*(t393)*(t1198) - | ^ -Warning: 't390' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:21: + 1584 | *sx + | ^ +Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:21: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^~~~ -note: 't390' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5196:67: +note: 't365' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1551:32: - 5196 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) - | ^ -Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:27: + 1551 | t98*t1400 + | ^ +Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:27: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^~~~ -note: 't393' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5135:65: - - 5135 | *t1270 + 0.5e1_dp/0.2e1_dp*(t388)*(t393)*(t1198) - | ^ -Warning: 't394' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:33: - - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^~~~ -note: 't394' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5041:24: +note: 't368' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1492:76: - 5041 | *(t872) - | ^ -Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:43: + 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:38: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^~~~ -note: 't400' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5041:24: + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^~~~ +note: 't372' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: - 5041 | *(t872) - | ^ -Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:49: + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't377' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:44: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^~~~ -note: 't401' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5142:58: + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + | ^~~~ +note: 't377' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: - 5142 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1184) - | ^ -Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:55: + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't382' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:55: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^~~~ -note: 't402' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5189:80: +note: 't382' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: - 5189 | *t367*t405*t1552) - | ^ -Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:61: + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:61: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^~~~ -note: 't405' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5142:58: +note: 't383' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: - 5142 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1184) - | ^ -Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:67: + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:67: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^~~~ -note: 't406' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5073:101: +note: 't384' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: - 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) - | ^ -Warning: 't410' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:78: + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:78: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^~~~ -note: 't410' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: +note: 't393' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't412' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:84: + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't397' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:84: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & + 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & | ^~~~ -note: 't412' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5062:107: +note: 't397' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: - 5062 | t1065*t422*t1066*t350) + (5._dp*t1071*t423) - | ^ -Warning: 't415' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4557:90: + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:10: - 4557 | t389, t39, t390, t393, t394, t4, t400, t401, t402, t405, t406, t41, t410, t412, t415, & - | ^~~~ -note: 't415' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^~~~ +note: 't400' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:10: + 1507 | *t397 - 0.2400000000e2_dp*t245/t657/rho*t669) + | ^ +Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:16: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^~~~ -note: 't417' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5052:26: + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^~~~ +note: 't401' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1551:32: - 5052 | t1071 = t330*t420 - | ^ -Warning: 't420' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:21: + 1551 | t98*t1400 + | ^ +Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:22: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^~~~ -note: 't420' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5073:101: + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^~~~ +note: 't404' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1492:76: - 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) - | ^ -Warning: 't421' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:27: + 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:28: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^~~~ -note: 't421' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^~~~ +note: 't405' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1492:76: - 5152 | *t155*t44*t726 - | ^ -Warning: 't422' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:33: + 1492 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) + | ^ +Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:34: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^~~~ -note: 't422' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^~~~ +note: 't408' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: - 5152 | *t155*t44*t726 - | ^ -Warning: 't423' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:39: + 1542 | *t36*t38*t1396 + | ^ +Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:51: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^~~~ -note: 't423' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5073:101: + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^~~~ +note: 't413' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: - 5073 | *t784) + 0.10e2_dp/0.3e1_dp*(t330)*(t389)*(t428) - | ^ -Warning: 't426' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:45: + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:57: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^~~~ -note: 't426' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^~~~ +note: 't417' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ -Warning: 't427' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:51: + 1542 | *t36*t38*t1396 + | ^ +Warning: 't418' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:63: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^~~~ -note: 't427' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^~~~ +note: 't418' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:57: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:74: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^~~~ + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^~~~ note: 't428' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5046:30: - - 5046 | t1040 = t75/t433/t160 - | ^ -Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:69: - - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^~~~ -note: 't433' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: - 5183 | *t421*t422*t1533 - | ^ -Warning: 't434' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4558:75: + 1542 | *t36*t38*t1396 + | ^ +Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:80: - 4558 | t417, t42, t420, t421, t422, t423, t426, t427, t428, t431, t433, t434 - | ^~~~ -note: 't434' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^~~~ +note: 't429' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: - 5183 | *t421*t422*t1533 - | ^ + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:91: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^~~~ + 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + | ^~~~ note: 't435' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5049:27: - - 5049 | t1049 = t437*t1048 - | ^ -Warning: 't437' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:30: - - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^~~~ -note: 't437' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: - - 5183 | *t421*t422*t1533 - | ^ -Warning: 't438' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:36: - - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^~~~ -note: 't438' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: - - 5152 | *t155*t44*t726 - | ^ -Warning: 't439' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:42: - - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^~~~ -note: 't439' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5075:64: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: - 5075 | - t80*(t1074 + t1118)*Clda)*sx - | ^ -Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:59: + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't451' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:15: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^~~~ -note: 't444' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5161:111: + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^~~~ +note: 't451' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1512:57: - 5161 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) - | ^ -Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:65: + 1512 | + 0.5999999999e1_dp*t128*t132*t529 + | ^ +Warning: 't452' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:21: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^~~~ -note: 't450' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5103:132: + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^~~~ +note: 't452' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: - 5103 | - t450*t239 + 2._dp*t85*t706 - t85*t723) - | ^ -Warning: 't453' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:71: + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:27: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^~~~ -note: 't453' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5161:111: + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^~~~ +note: 't455' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: - 5161 | t68 - 2._dp*t450*t278 + 2._dp*t85*t752 - t85*t769) - | ^ -Warning: 't454' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:77: + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:33: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^~~~ -note: 't454' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5136:26: + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^~~~ +note: 't457' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: - 5136 | t1413 = t140*t456 - | ^ -Warning: 't456' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:83: + 1454 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't460' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:44: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^~~~ -note: 't456' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^~~~ +note: 't460' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: - 5183 | *t421*t422*t1533 - | ^ -Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4559:89: + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't462' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:50: - 4559 | REAL(KIND=dp) :: t435, t437, t438, t439, t44, t443, t444, t450, t453, t454, t456, t457, & - | ^~~~ -note: 't457' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^~~~ +note: 't462' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: - 5183 | *t421*t422*t1533 - | ^ -Warning: 't459' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:10: + 1475 | t41*t328*t466 + | ^ +Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:56: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^~~~ -note: 't459' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^~~~ +note: 't463' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: - 5080 | - (16._dp*t469*t203)) - | ^ + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:21: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:62: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^~~~ + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^~~~ note: 't464' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: - 5080 | - (16._dp*t469*t203)) - | ^ + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ Warning: 't465' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:27: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:68: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^~~~ + 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + | ^~~~ note: 't465' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't468' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:33: + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't466' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:24: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^~~~ -note: 't468' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^~~~ +note: 't466' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't469' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:39: + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't467' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:30: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^~~~ -note: 't469' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^~~~ +note: 't467' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1468:68: - 5080 | - (16._dp*t469*t203)) - | ^ -Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:45: + 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ +Warning: 't470' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:41: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^~~~ -note: 't472' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5158:90: + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^~~~ +note: 't470' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: - 5158 | *t19 + 12._dp*g3*t1*t24*t32) - | ^ + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:51: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:47: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^~~~ + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^~~~ note: 't473' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5128:26: - - 5128 | t1382 = t136*t475 - | ^ -Warning: 't475' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:57: - - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^~~~ -note: 't475' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: - - 5183 | *t421*t422*t1533 - | ^ -Warning: 't476' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:63: - - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^~~~ -note: 't476' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1468:68: - 5183 | *t421*t422*t1533 - | ^ + 1468 | *t335*t486 - 0.1000000001e1_dp*t94*t135*t1091 + | ^ Warning: 't478' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:75: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:53: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^~~~ + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^~~~ note: 't478' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5196:67: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: - 5196 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) - | ^ -Warning: 't484' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:86: + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:59: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^~~~ -note: 't484' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5083:26: + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^~~~ +note: 't479' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: - 5083 | t1181 = t931*t486 - | ^ + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't482' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:70: + + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^~~~ +note: 't482' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4560:92: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:76: - 4560 | t459, t46, t464, t465, t468, t469, t472, t473, t475, t476, t477, t478, t48, t484, t486, & - | ^~~~ + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^~~~ note: 't486' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5196:67: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: - 5196 | (t1537) - 0.75e2_dp/0.4e1_dp*(t340)*(t793)*(t1529) - | ^ -Warning: 't487' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:10: + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:82: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^~~~ -note: 't487' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5189:80: + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^~~~ +note: 't489' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1483:76: - 5189 | *t367*t405*t1552) - | ^ -Warning: 't498' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:21: + 1483 | + t1136) + | ^ +Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:93: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^~~~ -note: 't498' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5109:26: + 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + | ^~~~ +note: 't492' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1429:30: - 5109 | t1288 = t864*t500 - | ^ -Warning: 't500' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:31: + 1429 | t857 = t27*t496 + | ^ +Warning: 't496' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:10: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^~~~ -note: 't500' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5189:80: + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^~~~ +note: 't496' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1584:49: - 5189 | *t367*t405*t1552) - | ^ + 1584 | *sx + | ^ Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:37: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:20: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^~~~ + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^~~~ note: 't501' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5152:31: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1551:32: - 5152 | *t155*t44*t726 - | ^ + 1551 | t98*t1400 + | ^ +Warning: 't502' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:26: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^~~~ +note: 't502' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1551:32: + + 1551 | t98*t1400 + | ^ Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:43: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:32: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^~~~ + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^~~~ note: 't505' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5177:58: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: - 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) - | ^ -Warning: 't510' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:49: + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:38: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^~~~ -note: 't510' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5177:58: + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^~~~ +note: 't508' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: - 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) - | ^ + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:55: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:49: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^~~~ + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^~~~ note: 't513' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5177:58: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: - 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) - | ^ + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't514' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:55: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^~~~ +note: 't514' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1365:38: + + 1365 | t624 = 0.1e1_dp/t8/t519 + | ^ Warning: 't519' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:61: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:61: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & | ^~~~ note: 't519' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5177:58: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: - 5177 | + 0.3e1_dp/0.2e1_dp*(t400)*(t405)*(t1566) - | ^ -Warning: 't522' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:67: + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't521' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:72: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^~~~ -note: 't522' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5124:108: + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^~~~ +note: 't521' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: - 5124 | *t457*t306) + 0.5e1_dp/0.2e1_dp*t1071*t533 - | ^ + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't525' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:78: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^~~~ +note: 't525' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1560:99: + + 1560 | *t250*ndrho + 0.180e2_dp*t393/t657*t669) + | ^ Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:73: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:84: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^~~~ + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^~~~ note: 't526' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5202:132: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1584:49: - 5202 | *t155*t44*t772) - | ^ + 1584 | *sx + | ^ +Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:90: + + 1050 | t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, t529, & + | ^~~~ +note: 't529' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1551:32: + + 1551 | t98*t1400 + | ^ Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:79: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:10: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^~~~ + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^~~~ note: 't530' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5202:132: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: - 5202 | *t155*t44*t772) - | ^ -Warning: 't533' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4561:85: + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't536' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:28: - 4561 | t487, t49, t498, t5, t500, t501, t505, t510, t513, t519, t522, t526, t530, t533, t536, & - | ^~~~ -note: 't533' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^~~~ +note: 't536' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: - 5183 | *t421*t422*t1533 - | ^ + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't537' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:34: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^~~~ +note: 't537' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ Warning: 't539' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4562:10: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:40: - 4562 | t539, t54, t540, t544, t545, t548, t55, t553, t555, t557, t558, t56, t561, t563, t564, & - | ^~~~ + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^~~~ note: 't539' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5183:33: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: - 5183 | *t421*t422*t1533 - | ^ -Warning: 't540' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4562:21: + 1542 | *t36*t38*t1396 + | ^ +Warning: 't562' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:51: - 4562 | t539, t54, t540, t544, t545, t548, t55, t553, t555, t557, t558, t56, t561, t563, t564, & - | ^~~~ -note: 't540' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5153:97: + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^~~~ +note: 't562' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: - 5153 | e_ndrho_rho = e_ndrho_rho + (-0.4e1_dp/0.3e1_dp*t283*t545 - t80*(t1319 + t1443)*Clda)*sx - | ^ -Warning: 't545' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4562:33: + 1542 | *t36*t38*t1396 + | ^ +Warning: 't566' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:57: - 4562 | t539, t54, t540, t544, t545, t548, t55, t553, t555, t557, t558, t56, t561, t563, t564, & - | ^~~~ -note: 't545' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5671:94: + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^~~~ +note: 't566' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: - 5671 | 1.0_dp/(Q*Q)*(-Q*dQndrho*dQndrho - Q*d2Qndrhondrho + dQndrho*dQndrho) - | ^ -Warning: 'dqndrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4538:63: + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't570' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:63: - 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^~~~~~~ -note: 'dqndrho' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5635:90: + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^~~~ +note: 't570' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: - 5635 | 1.0_dp/Q*(dQrho*dQndrho + d2Qrhondrho) + 1.0_dp/(Q*Q)*dQrho*dQndrho - | ^ -Warning: 'dqrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4538:72: + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't571' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:69: - 4538 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^~~~~ -note: 'dqrho' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbecke_roussel.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_tmc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xbr_pbe_lda_hole_t_c_lr.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F xc_xbr_pbe_lda_hole_t_c_lr.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_tb.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_qs.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_qs.F input_cp2k_qs.F90 -/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:434:57: + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^~~~ +note: 't571' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: - 434 | ps_implicit_env%ehartree = ehartree/vol_scfac - | ^ -Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:339:61: + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't572' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:75: - 339 | vol_scfac - | ^~~~~~~~~ -note: 'vol_scfac' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_ke_gga.mod' due to: target does not exist + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^~~~ +note: 't572' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't573' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:81: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^~~~ +note: 't573' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't574' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:87: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^~~~ +note: 't574' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: + + 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't575' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:93: + + 1051 | t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, t575, & + | ^~~~ +note: 't575' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't576' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1052:10: + + 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^~~~ +note: 't576' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 1526 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't580' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1052:16: + + 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^~~~ +note: 't580' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't586' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1052:22: + + 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^~~~ +note: 't586' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1496:31: + + 1496 | t1153 = t27*t590 + | ^ +Warning: 't590' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1052:33: + + 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & + | ^~~~ +note: 't590' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_fxc_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_fxc_kernel.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_perdew86.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:37 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbr_pbe_lda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbr_pbe_lda_hole_t_c_lr.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:37 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_qs.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_num.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_ana.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F semi_empirical_int_ana.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_int_debug.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_debug.F semi_empirical_int_debug.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_ana.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_ana.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_exchange_gga.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_b97.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_int_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_int_debug.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_tfw.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_tmc.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_se.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:3905:24: @@ -38610,6 +38624,8 @@ 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 | ^~~~ note: 't262' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbecke_roussel.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4148:44: 4148 | t63) @@ -39195,6 +39211,8 @@ 4241 | *(t435)*(t437)*(t976) | ^ Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_b97.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:3681:85: 3681 | t380, t381, t383, t384, t388, t39, t391, t395, t396, t397, t398, t399, t4, t400, t401, & @@ -39825,11 +39843,13 @@ 4329 | *t199*t285 + t550*t285)) | ^ Warning: 't537' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_xbr_pbe_lda_hole_t_c_lr.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:3687:16: 3687 | t534, t537, t538, t539, t54, t542, t544, t545, t546, t548, t549, t55, t550, t554, t555, & | ^~~~ note: 't537' was declared here +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbr_pbe_lda_hole_t_c_lr.F xc_xbr_pbe_lda_hole_t_c_lr.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4436:71: 4436 | *t461*t320) - (2._dp*t91*t344*t875) @@ -40390,33 +40410,28 @@ 3656 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1004, & | ^~~~~ note: 'dqrho' was declared here -/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:1214:87: +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_pbe.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_xbr_pbe_lda_hole_t_c_lr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_xbr_pbe_lda_hole_t_c_lr.F90 +/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:434:57: - 1214 | CALL pw_scale(pw_in, 1.0_dp/(vol_scfac*tile_volume)) ! normalize tile_pw - | ^ + 434 | ps_implicit_env%ehartree = ehartree/vol_scfac + | ^ Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:1101:74: +/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:339:61: - 1101 | REAL(dp) :: tile_volume, vol_scfac - | ^~~~~~~~~ + 339 | vol_scfac + | ^~~~~~~~~ note: 'vol_scfac' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_tfw.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_parameters.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_utils.F semi_empirical_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_fxc_kernel.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_pbe.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbecke88.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:38 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_vwn.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_nonbond_force.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_tb.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_qs.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_qs.F input_cp2k_qs.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_ke_gga.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_qs.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:2950:24: 2950 | t382 = t1*ndrho @@ -43907,16 +43922,43 @@ 2654 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & | ^~~~~ note: 'dqrho' was declared here +/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:1214:87: + + 1214 | CALL pw_scale(pw_in, 1.0_dp/(vol_scfac*tile_volume)) ! normalize tile_pw + | ^ +Warning: 'vol_scfac' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:1101:74: + + 1101 | REAL(dp) :: tile_volume, vol_scfac + | ^~~~~~~~~ +note: 'vol_scfac' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_nonbond_force.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_fxc_kernel.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbr_pbe_lda_hole_t_c_lr.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_implicit_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_parameters.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_utils.F semi_empirical_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_subsys.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbecke88_long_range.mod' due to: target does not exist -true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cell_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cell_methods.F cell_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_motion_print.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_motion_print.F input_cp2k_motion_print.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_thermostats.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_thermostats.F input_cp2k_thermostats.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'shg_integrals_test.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_integrals_test.F shg_integrals_test.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbecke88.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cell_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cell_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_motion_print.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_motion_print.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_thermostats.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_thermostats.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_integrals_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' shg_integrals_test.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1810:24: 1810 | t419 = t1*ndrho @@ -44507,8 +44549,6 @@ 1500 | t194, t195, t1951, t1956, t1961, t1967, t197, t1977, t198, t1983, t1984 | ^~~~ note: 't195' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_thermostats.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_thermostats.F input_cp2k_thermostats.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:2085:21: 2085 | t333 @@ -45064,8 +45104,6 @@ 1799 | /0.3e1_dp*t384*t386 - (5._dp*t42*t392) - (8._dp*t55*t398) | ^ Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'shg_integrals_test.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/shg_integrals_test.F shg_integrals_test.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1514:40: 1514 | t352, t353, t354, t357, t358, t36, t361, t362, t363, t364, t368, t371 @@ -45096,6 +45134,8 @@ 1787 | t375 = t4*t18 | ^ Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbecke88_long_range.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1516:28: 1516 | t390, t392, t398, t4, t401, t402, t403, t404, t406, t409, t41, t411, t412, t415, t416, & @@ -45511,8 +45551,6 @@ 1513 | t335, t336, t338, t339, t34, t340, t342, t343, t345, t346, t347, t348, t349, t35, t351, & | ^~~~ note: 't339' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_poisson_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_poisson_methods.F pw_poisson_methods.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:2152:25: 2152 | t1243 = t340*t68 @@ -45963,8 +46001,6 @@ 1517 | t419, t42, t420, t421, t424, t425, t426, t428, t429, t432, t433, t437, t44, t440, t441, & | ^~~~ note: 't425' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cell_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cell_methods.F cell_methods.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:2162:34: 2162 | - t375*t340*t1282 @@ -48015,11 +48051,51 @@ 1480 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1001, & | ^~~~~ note: 'dqrho' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cell_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cell_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_poisson_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_motion_print.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_motion_print.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"shg_integrals_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' shg_integrals_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_thermostats.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_thermostats.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_qs.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_libxc.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_motion_print.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_loc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_loc.F input_cp2k_loc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_implicit_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_poisson_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/pw_poisson_methods.F pw_poisson_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_loc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_loc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw/pw_poisson_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/pw/' pw_poisson_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kind_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kind_types.F qs_kind_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_thermostats.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_neb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_neb.F input_cp2k_neb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kind_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_neb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_neb.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_spline_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_spline_util.F ewald_spline_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ipi_server.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ipi_server.F ipi_server.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_cif.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_cif.F topology_cif.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_xtl.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_xtl.F topology_xtl.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_neighbor_list_control.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_neighbor_list_control.F fist_neighbor_list_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_server.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_server.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_spline_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_spline_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cif.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_cif.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_loc.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xtl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_xtl.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_neighbor_list_control.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_as.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_as.F input_cp2k_as.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F:512:93: 512 | dscale = dscale + dzz*fni1(ig)*EXP(-ax) - dax*zz*fni1(ig)*EXP(-ax) @@ -48030,10 +48106,17 @@ 359 | dscale, dssss, dssss_sr, dtmp, dzz, enuc_loc, pai, paj, pbi, pbj, qcorr, rij, rija, & | ^~~ note: 'dzz' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_libxc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_qs.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_as.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_as.F90 +/build/reproducible-path/cp2k-2025.1/src/shg_integrals_test.F:261:75: + + 261 | lmax = MAX(MAX(lamax + lcamax, lbmax), MAX(lamax, lbmax + lcbmax)) + | ^ +Warning: 'lcamax' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/shg_integrals_test.F:212:68: + + 212 | lbmax, lcamax, lcbmax, lmax, nab, & + | ^~~~~~ +note: 'lcamax' was declared here /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F:282:108: 282 | core(10, n)*(ij_matrix%dd_d(1, idd, 4, 4) + ij_matrix%dd_d(1, idd, 5, 5)) @@ -48064,61 +48147,59 @@ 105 | REAL(KIND=dp), DIMENSION(3) :: drij | ^~~~ note: 'drij[2]' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_neb.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kind_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kind_types.F qs_kind_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kind_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_motion_print.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_as.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_ana.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_cif.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_loc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_loc.F input_cp2k_loc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:42 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_loc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_loc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_thermostats.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xwpbe.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_neb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_neb.F input_cp2k_neb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:42 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_neb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_neb.F90 -/build/reproducible-path/cp2k-2025.1/src/shg_integrals_test.F:261:75: - - 261 | lmax = MAX(MAX(lamax + lcamax, lbmax), MAX(lamax, lbmax + lcbmax)) - | ^ -Warning: 'lcamax' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/shg_integrals_test.F:212:68: - - 212 | lbmax, lcamax, lcbmax, lmax, nab, & - | ^~~~~~ -note: 'lcamax' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ipi_server.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xwpbe.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_ana.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_xtl.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_neighbor_list_control.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_spline_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_spline_util.F ewald_spline_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ipi_server.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ipi_server.F ipi_server.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_cif.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_cif.F topology_cif.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_xtl.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_xtl.F topology_xtl.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_neighbor_list_control.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_neighbor_list_control.F fist_neighbor_list_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_spline_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_spline_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_server.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_server.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_neighbor_list_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_neighbor_list_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_xtl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_xtl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_cif.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_cif.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'shg_integrals_test.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_loc.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_spline_util.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_as.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_as.F input_cp2k_as.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_neb.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_ddapc_types.F cp_ddapc_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a" +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_poisson_methods.mod' due to: target does not exist +true +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a dirichlet_bc_methods.o pw_grid_types.o pw_gpu.o dg_rho0_types.o ps_wavelet_base.o ps_implicit_methods.o dielectric_types.o ps_wavelet_methods.o ps_wavelet_fft3d.o pw_methods.o ps_implicit_types.o pw_copy_all.o cube_utils.o dct.o pw_grid_info.o dirichlet_bc_types.o pw_spline_utils.o fft_tools.o pw_pool_types.o realspace_grid_cube.o ps_wavelet_util.o ps_wavelet_kernel.o ps_wavelet_scaling_function.o rs_methods.o pw_grids.o lazy.o dielectric_methods.o cp_linked_list_pw.o realspace_grid_types.o dg_types.o ps_wavelet_types.o pw_types.o dgs.o mt_util.o pw_poisson_methods.o pw_poisson_types.o pw_fpga.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_pw_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_pw_types.F ewald_pw_types.F90 +/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:186: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/grid_miniapp.psmp' due to: target does not exist +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/grid_miniapp.psmp grid_miniapp.o -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -lcp2ksubsys -lcp2kfm -lcp2kao -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kfpga -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:190: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/grid_unittest.psmp' due to: target does not exist +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/grid_unittest.psmp grid_unittest.o -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -lcp2ksubsys -lcp2kfm -lcp2kao -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kfpga -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_pw_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_as.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_as.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_pw_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_pw_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_pw_methods.F ewald_pw_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewalds.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewalds.F ewalds.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewalds_multipole.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewalds_multipole.F ewalds_multipole.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pme.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pme.F pme.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'spme.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/spme.F spme.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_pw_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewalds.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:3363:39: 3363 | t306 = 0.1e1_dp/t10/t224 @@ -49059,6 +49140,7 @@ 3164 | REAL(kind=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & | ^~~ note: 't68' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pme.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:4449:30: 4449 | t3097 = t66*t69 @@ -49984,6 +50066,7 @@ 4349 | *t55*t1082 - 0.1000000001e1_dp*t165*t2631*t237 | ^ Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds_multipole.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewalds_multipole.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:3107:17: 3107 | t3827, t383, t384, t3842, t3849, t3853, t3861, t3865, t3869, t387 @@ -50049,6 +50132,7 @@ 3109 | t3965, t3969, t3975, t3979, t398, t3985, t399, t4, t40, t400, t401, t4010, t4018, t4025, & | ^~~~ note: 't398' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spme.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' spme.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:4097:32: 4097 | t1912 = t399*t245 @@ -54459,56 +54543,20 @@ 3173 | t99, t991, t995, t997, xx | ^~~~ note: 't997' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_xtl.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_cif.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_neighbor_list_control.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ipi_server.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_as.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_spline_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_ddapc_types.F cp_ddapc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:45 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_poisson_methods.mod' due to: target does not exist -true -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a pw_methods.o cp_linked_list_pw.o ps_implicit_methods.o dielectric_methods.o dirichlet_bc_methods.o pw_fpga.o pw_types.o lazy.o pw_poisson_methods.o ps_implicit_types.o pw_pool_types.o pw_copy_all.o ps_wavelet_methods.o ps_wavelet_base.o ps_wavelet_types.o realspace_grid_types.o ps_wavelet_scaling_function.o ps_wavelet_fft3d.o mt_util.o ps_wavelet_kernel.o dg_types.o pw_spline_utils.o pw_grid_types.o ps_wavelet_util.o dct.o cube_utils.o pw_gpu.o rs_methods.o dirichlet_bc_types.o pw_grids.o pw_poisson_types.o dg_rho0_types.o realspace_grid_cube.o dielectric_types.o fft_tools.o pw_grid_info.o dgs.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.a -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_pw_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_pw_types.F ewald_pw_types.F90 -/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:190: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/grid_miniapp.psmp' due to: target does not exist -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:45 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/grid_miniapp.psmp grid_miniapp.o -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -lcp2ksubsys -lcp2kfm -lcp2kao -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kfpga -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:186: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/grid_unittest.psmp' due to: target does not exist -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:45 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/grid_unittest.psmp grid_unittest.o -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -lcp2ksubsys -lcp2kfm -lcp2kao -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kfpga -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:45 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_pw_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_pw_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_pw_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_pw_methods.F ewald_pw_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewalds.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewalds.F ewalds.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewalds_multipole.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewalds_multipole.F ewalds_multipole.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pme.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pme.F pme.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'spme.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/spme.F spme.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:47 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_pw_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:47 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pme.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pme.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:47 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewalds.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:47 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"spme.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' spme.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:47 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewalds_multipole.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewalds_multipole.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_pw_methods.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/pme.F:224:11: + + 224 | DO + | ^ +Warning: 'rpot' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pme.F:129:67: + + 129 | TYPE(realspace_grid_type), POINTER :: rden, rpot + | ^~~~ +note: 'rpot' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewalds.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kind_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_cdft_types.o' due to: target does not exist @@ -54525,59 +54573,47 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_harris_types.F qs_harris_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_types.F qs_linres_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_cdft_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_subsys_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_atomic_halo_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_atomic_halo_types.F qs_fb_atomic_halo_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'distribution_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/distribution_methods.F distribution_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewalds.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/pme.F:224:11: - - 224 | DO - | ^ -Warning: 'rpot' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pme.F:129:67: - - 129 | TYPE(realspace_grid_type), POINTER :: rden, rpot - | ^~~~ -note: 'rpot' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sap_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' sap_kind_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atomic_charges.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atomic_charges.F atomic_charges.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_subsys_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'core_ae.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/core_ae.F core_ae.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_cdft_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"particle_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' particle_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'core_ppl.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/core_ppl.F core_ppl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sap_kind_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' sap_kind_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integral_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integral_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harris_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_harris_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_interactions.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_interactions.F qs_interactions.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integral_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integral_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harris_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_harris_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_halo_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_atomic_halo_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'auto_basis.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/auto_basis.F auto_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"particle_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' particle_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' distribution_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_parameters.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_parameters.F qs_dftb_parameters.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' distribution_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atomic_charges.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atomic_charges.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ae.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' core_ae.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' core_ppl.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_expns3_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_expns3_methods.F semi_empirical_expns3_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_halo_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_atomic_halo_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molden_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/molden_utils.F molden_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atomic_charges.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atomic_charges.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ae.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' core_ae.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_interactions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_interactions.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' core_ppl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"auto_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' auto_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_parameters.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_parameters.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_expns3_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molden_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molden_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_integral_utils.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_interactions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_interactions.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pme.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"auto_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' auto_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_parameters.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_parameters.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_expns3_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_expns3_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molden_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molden_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_integral_utils.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'commutator_rkinetic.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/commutator_rkinetic.F commutator_rkinetic.F90 /build/reproducible-path/cp2k-2025.1/src/atomic_charges.F:136:4: @@ -54585,7 +54621,11 @@ 136 | SUBROUTINE print_multipoles(particle_set, qs_kind_set, scr, charge, dipole, quadrupole) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'print_multipoles' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rkinetic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' commutator_rkinetic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rkinetic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' commutator_rkinetic.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'spme.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_methods_tb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_methods_tb.F ewald_methods_tb.F90 /build/reproducible-path/cp2k-2025.1/src/auto_basis.F:573:4: 573 | SUBROUTINE overlap_maximum(lm, npgf, nfun, zet, gcc, nfit, afit, amet, eval) @@ -54601,22 +54641,8 @@ 674 | SUBROUTINE get_basis_functions(basis_set, lin, np, nf, zval, gcval) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'get_basis_functions' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_subsys_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pwdft_environment_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pwdft_environment_types.F pwdft_environment_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_types.F qs_ks_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_atom_map.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_atom_map.F negf_atom_map.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_vectors.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_vectors.F negf_vectors.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atomic_charges.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mulliken.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mulliken.F mulliken.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'spme.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/qs_fb_atomic_halo_types.F:166:4: 166 | SUBROUTINE fb_atomic_halo_associate(a, b) @@ -54632,6 +54658,9 @@ 685 | SUBROUTINE fb_atomic_halo_list_write(atomic_halos, para_env, fb_section) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'fb_atomic_halo_list_write' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_methods_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_methods_tb.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mulliken.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mulliken.F mulliken.F90 /build/reproducible-path/cp2k-2025.1/src/qs_linres_types.F:1021:4: 1021 | SUBROUTINE deallocate_jrho_coeff(jrho1_atom_set, iatom) @@ -54642,32 +54671,22 @@ 1060 | SUBROUTINE get_jrho_atom(jrho1_atom_set, iatom, cjc_h, cjc_s, cjc_ii_h, cjc_ii_s, & | ^~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'get_jrho_atom' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pwdft_environment_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_methods_tb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ewald_methods_tb.F ewald_methods_tb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_atom_map.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_atom_map.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_vectors.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_vectors.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_expns3_methods.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mulliken.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mulliken.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_subsys_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mulliken.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mulliken.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ewald_methods_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ewald_methods_tb.F90 -/build/reproducible-path/cp2k-2025.1/src/molden_utils.F:82:61: - - 82 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cmatrix, smatrix - | ^~~~~~~ -Warning: 'cmatrix.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/sap_kind_types.F:616:91: - - 616 | sab(1:na, first_col:first_col + nprjc - 1) = ai_work(1:na, 1:nprjc, i) - | ^ -Warning: 'nprjc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/sap_kind_types.F:300:88: - - 300 | maxppnl, maxsgf, na, nb, ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, & - | ^~~~~ -note: 'nprjc' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_harris_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pwdft_environment_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pwdft_environment_types.F pwdft_environment_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_types.F qs_ks_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_atom_map.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_atom_map.F negf_atom_map.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_vectors.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_vectors.F negf_vectors.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pwdft_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_vectors.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_vectors.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_atom_map.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_atom_map.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_expns3_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_atomic_halo_types.mod' due to: target does not exist true @@ -54675,10 +54694,13 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_env_types.F qs_fb_env_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_atomic_matrix_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_atomic_matrix_methods.F qs_fb_atomic_matrix_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_env_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molden_utils.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_atomic_matrix_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/molden_utils.F:82:61: + + 82 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cmatrix, smatrix + | ^~~~~~~ +Warning: 'cmatrix.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_atomic_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_atomic_matrix_methods.F90 /build/reproducible-path/cp2k-2025.1/src/ewalds_multipole.F:554:31: 554 | REAL(KIND=dp) :: alpha, ch_i, ch_j, ef0_i, ef0_j, eloc, fac, fac_ij, ir, irab2, ptens11, & @@ -54689,12 +54711,38 @@ 554 | REAL(KIND=dp) :: alpha, ch_i, ch_j, ef0_i, ef0_j, eloc, fac, fac_ij, ir, irab2, ptens11, & | ^~~~ Warning: 'ch_j' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_vectors.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_harris_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/sap_kind_types.F:616:91: + + 616 | sab(1:na, first_col:first_col + nprjc - 1) = ai_work(1:na, 1:nprjc, i) + | ^ +Warning: 'nprjc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/sap_kind_types.F:300:88: + + 300 | maxppnl, maxsgf, na, nb, ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, & + | ^~~~~ +note: 'nprjc' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pwdft_environment_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_atom_map.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_vectors.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_cdft_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_environment_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_environment_types.F mixed_environment_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'commutator_rkinetic.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/ewald_methods_tb.F:332:58: + + 332 | pfr = -dfr*mcharge(iatom)*mcharge(jatom) + | ^ +Warning: 'dfr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/ewald_methods_tb.F:303:61: + + 303 | REAL(KIND=dp) :: dfr, dr, fr, pfr, rij(3) + | ^~~ +note: 'dfr' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_fb_env_types.F:97:4: 97 | SUBROUTINE fb_env_retain(fb_env) @@ -54710,6 +54758,9 @@ 207 | SUBROUTINE fb_env_init(fb_env) | ^~~~~~~~~~~~~~~~~~~~~~ Warning: 'fb_env_init' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_environment_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molden_utils.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/auto_basis.F:65:74: 65 | INTEGER :: i, j, jj, l, laux, linc, lmax, lval, lx, & @@ -54717,64 +54768,37 @@ Warning: 'laux' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_env_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_atom_map.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_types.F qs_scf_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'commutator_rkinetic.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_methods_tb.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'auto_basis.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_cdft_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_environment_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_environment_types.F mixed_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_environment_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_interactions.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/ewald_methods_tb.F:332:58: - - 332 | pfr = -dfr*mcharge(iatom)*mcharge(jatom) - | ^ -Warning: 'dfr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/ewald_methods_tb.F:303:61: - - 303 | REAL(KIND=dp) :: dfr, dr, fr, pfr, rij(3) - | ^~~ -note: 'dfr' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_atomic_matrix_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_cp2k_link.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_cp2k_link.F cp_dbcsr_cp2k_link.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cp2k_link.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_cp2k_link.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_filter_matrix_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_filter_matrix_methods.F qs_fb_filter_matrix_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_env_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_env_types.F xas_env_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_lanczos.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_lanczos.F qs_scf_lanczos.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_filter_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_filter_matrix_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_lanczos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_lanczos.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewald_methods_tb.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_cp2k_link.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_cp2k_link.F cp_dbcsr_cp2k_link.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_cp2k_link.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_cp2k_link.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_fb_filter_matrix_methods.F:1432:4: - - 1432 | SUBROUTINE fb_fltrmat_fermi_dirac_ne(f, eigenvals, T, ne, maxocc) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'fb_fltrmat_fermi_dirac_ne' defined but not used [-Wunused-function] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_lanczos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_lanczos.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_environment_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mulliken.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_env_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_atomic_matrix_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mo_occupation.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mo_occupation.F qs_mo_occupation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_occupation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_occupation.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_filter_matrix_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_filter_matrix_methods.F qs_fb_filter_matrix_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_filter_matrix_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_filter_matrix_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'particle_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_types.o' due to: target does not exist @@ -54795,6 +54819,50 @@ 123 | imolecule_prev_kind, iparticle_kind, ipe, iw, kind_a, molecule_a, n, natom, nbins, nload, & | ^~~ note: 'ipe' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' task_list_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_matrix_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_matrix_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_mincrawl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_mincrawl.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_parameters.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_env_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mo_occupation.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mo_occupation.F qs_mo_occupation.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mulliken.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_cp2k_link.F:485:13: + + 485 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_cp2k_link.F:455:74: + + 455 | irow, jatom, last_jatom, nadd + | ^~~~~~~~~~ +note: 'last_jatom' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_occupation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_occupation.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'distribution_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/qs_fb_filter_matrix_methods.F:1432:4: + + 1432 | SUBROUTINE fb_fltrmat_fermi_dirac_ne(f, eigenvals, T, ne, maxocc) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'fb_fltrmat_fermi_dirac_ne' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_cp2k_link.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_global.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_global.F input_cp2k_global.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_overlap.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_overlap.F qs_overlap.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F kpoint_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kg_tnadd_mat.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kg_tnadd_mat.F kg_tnadd_mat.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_global.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_global.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_overlap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_overlap.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_tnadd_mat.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_tnadd_mat.F90 /build/reproducible-path/cp2k-2025.1/src/ewalds_multipole.F:378:37: 378 | REAL(KIND=dp) :: alpha, beta, ch_i, ch_j, dampa_ij, dampa_ji, dampaexpi, dampaexpj, & @@ -54805,19 +54873,6 @@ 378 | REAL(KIND=dp) :: alpha, beta, ch_i, ch_j, dampa_ij, dampa_ji, dampaexpi, dampaexpj, & | ^~~~ Warning: 'ch_j' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"task_list_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' task_list_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_matrix_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_matrix_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_mincrawl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_mincrawl.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_parameters.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbecke88_lr_adiabatic.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_derivatives.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_derivatives.F xc_derivatives.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'distribution_methods.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivatives.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivatives.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'sap_kind_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_oce_types.o' due to: target does not exist @@ -54828,32 +54883,20 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_oce_methods.F qs_oce_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'core_ppnl.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/core_ppnl.F core_ppnl.F90 -/build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_cp2k_link.F:485:13: - - 485 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_cp2k_link.F:455:74: - - 455 | irow, jatom, last_jatom, nadd - | ^~~~~~~~~~ -note: 'last_jatom' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_oce_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_oce_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rpnl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' commutator_rpnl.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppnl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' core_ppnl.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_filter_matrix_methods.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_oce_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"commutator_rpnl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' commutator_rpnl.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_oce_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_oce_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"core_ppnl.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' core_ppnl.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_lanczos.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_cp2k_link.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_mincrawl.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_global.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_global.F input_cp2k_global.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_overlap.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_overlap.F qs_overlap.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_oce_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_types.F admm_types.F90 /build/reproducible-path/cp2k-2025.1/src/qs_mo_occupation.F:153:26: 153 | homo_a = lfomo_a - 1 @@ -54874,217 +54917,51 @@ 67 | lfomo_a, lfomo_b, nmo_a, nmo_b, & | ^~~~~~~ note: 'lfomo_b' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F kpoint_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kg_tnadd_mat.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kg_tnadd_mat.F kg_tnadd_mat.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_global.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_global.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_tnadd_mat.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_tnadd_mat.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_overlap.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_overlap.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_oce_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_types.F admm_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:13:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_types.F90 /build/reproducible-path/cp2k-2025.1/src/qs_oce_methods.F:338:4: 338 | SUBROUTINE build_oce_block_1c(oceh, oces, atom_ka, sgf_list, nsgf_cnt, eps_fit) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'build_oce_block_1c' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_mincrawl.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mo_occupation.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mo_io.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mo_io.F qs_mo_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:56:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_io.F90 /build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:1595:4: 1595 | SUBROUTINE matprint(mat) | ^~~~~~~~~~~~~~~~~~~ Warning: 'matprint' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: - - 142 | blkint - | ^~~~~~ -Warning: 'blkint.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:623:119: - - 623 | MATMUL(blkint(1:nb, 1:np, 1), TRANSPOSE(acint(1:na, 1:np, 1))) - | ^ -Warning: 'blkint.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: - - 142 | blkint - | ^~~~~~ -note: 'blkint.offset' was declared here -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: Warning: 'blkint.span' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: Warning: 'blkint.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:625:119: - - 625 | MATMUL(blkint(1:nb, 1:np, 2), TRANSPOSE(acint(1:na, 1:np, 1))) - | ^ -Warning: 'blkint.dim[0].lbound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: - - 142 | blkint - | ^~~~~~ -note: 'blkint.dim[0].lbound' was declared here -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:623:119: - - 623 | MATMUL(blkint(1:nb, 1:np, 1), TRANSPOSE(acint(1:na, 1:np, 1))) - | ^ -Warning: 'blkint.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: - - 142 | blkint - | ^~~~~~ -note: 'blkint.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:625:119: - - 625 | MATMUL(blkint(1:nb, 1:np, 2), TRANSPOSE(acint(1:na, 1:np, 1))) - | ^ -Warning: 'blkint.dim[1].lbound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: - - 142 | blkint - | ^~~~~~ -note: 'blkint.dim[1].lbound' was declared here -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:623:119: - - 623 | MATMUL(blkint(1:nb, 1:np, 1), TRANSPOSE(acint(1:na, 1:np, 1))) - | ^ -Warning: 'blkint.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: - - 142 | blkint - | ^~~~~~ -note: 'blkint.dim[2].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:625:119: - - 625 | MATMUL(blkint(1:nb, 1:np, 2), TRANSPOSE(acint(1:na, 1:np, 1))) - | ^ -Warning: 'blkint.dim[2].lbound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: - - 142 | blkint - | ^~~~~~ -note: 'blkint.dim[2].lbound' was declared here -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: - - 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & - | ^~~~~~ -Warning: 'alkint.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:615:119: - - 615 | MATMUL(alkint(1:na, 1:np, 1), TRANSPOSE(bcint(1:nb, 1:np, 1))) - | ^ -Warning: 'alkint.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: - - 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & - | ^~~~~~ -note: 'alkint.offset' was declared here -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: Warning: 'alkint.span' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: Warning: 'alkint.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:617:119: - - 617 | MATMUL(alkint(1:na, 1:np, 2), TRANSPOSE(bcint(1:nb, 1:np, 1))) - | ^ -Warning: 'alkint.dim[0].lbound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: - - 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & - | ^~~~~~ -note: 'alkint.dim[0].lbound' was declared here -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:615:119: - - 615 | MATMUL(alkint(1:na, 1:np, 1), TRANSPOSE(bcint(1:nb, 1:np, 1))) - | ^ -Warning: 'alkint.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: - - 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & - | ^~~~~~ -note: 'alkint.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:617:119: - - 617 | MATMUL(alkint(1:na, 1:np, 2), TRANSPOSE(bcint(1:nb, 1:np, 1))) - | ^ -Warning: 'alkint.dim[1].lbound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: - - 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & - | ^~~~~~ -note: 'alkint.dim[1].lbound' was declared here -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:615:119: - - 615 | MATMUL(alkint(1:na, 1:np, 1), TRANSPOSE(bcint(1:nb, 1:np, 1))) - | ^ -Warning: 'alkint.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: - - 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & - | ^~~~~~ -note: 'alkint.dim[2].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:617:119: - - 617 | MATMUL(alkint(1:na, 1:np, 2), TRANSPOSE(bcint(1:nb, 1:np, 1))) - | ^ -Warning: 'alkint.dim[2].lbound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: - - 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & - | ^~~~~~ -note: 'alkint.dim[2].lbound' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_derivatives.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_filter_matrix_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/task_list_methods.F:2156:38: - - 2156 | tasks(indices(1))%pair_index = 1 - | ^ -Warning: 'MEM [(integer(kind=4)[0:] *)_220][0]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_tnadd_mat.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xbecke88_lr_adiabatic.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_derivatives.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_derivatives.F xc_derivatives.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_derivatives.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_derivatives.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_matrix_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_write_output.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc_write_output.F xc_write_output.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_global.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_output.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_output.F atom_output.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc.F xc.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:270:10: - - 270 | IF (dokp) THEN - | ^ -Warning: 'dokp' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:194:86: - - 194 | LOGICAL :: do_forces, do_symmetric, dokp, found, & - | ^~~~ -note: 'dokp' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:313:46: - - 313 | !$OMP REDUCTION (+ : pv_thread, force_thread ) - | ^ -Warning: 'use_cell_mapping' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:195:68: - - 195 | trans, use_cell_mapping, use_virial - | ^~~~~~~~~~~~~~~~ -note: 'use_cell_mapping' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_oce_methods.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'smeagol_matrix_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F smeagol_matrix_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_global.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cell_opt_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cell_opt_utils.F cell_opt_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_matrix_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_matrix_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cell_opt_utils.F90 +/build/reproducible-path/cp2k-2025.1/src/task_list_methods.F:2156:38: + + 2156 | tasks(indices(1))%pair_index = 1 + | ^ +Warning: 'MEM [(integer(kind=4)[0:] *)_220][0]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/motion/cell_opt_utils.F:125:47: + + 125 | new_logger%iter_info%project_name = c_val + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_tnadd_mat.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/qs_mo_io.F:1224:61: 1224 | cmatrix(icgf, 1), ncgf) @@ -55115,64 +54992,19 @@ 1034 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cmatrix, smatrix | ^~~~~~~ note: 'cmatrix.dim[1].stride' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_write_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_write_output.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewalds_multipole.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_utils.F admm_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'core_ae.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_pol_scf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_pol_scf.F fist_pol_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_matrix_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_matrix_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cell_opt_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_pol_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_pol_scf.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:868:50: - - 868 | !$OMP REDUCTION (+ : virial_thread, force_thread ) - | ^ -Warning: 'dokp' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:802:75: - - 802 | LOGICAL :: do_symmetric, dokp, found, trans, & - | ^~~~ -note: 'dokp' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:868:50: - - 868 | !$OMP REDUCTION (+ : virial_thread, force_thread ) - | ^ -Warning: 'use_cell_mapping' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:803:61: - - 803 | use_cell_mapping, use_virial - | ^~~~~~~~~~~~~~~~ -note: 'use_cell_mapping' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_write_output.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_overlap.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kinetic.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kinetic.F qs_kinetic.F90 -/build/reproducible-path/cp2k-2025.1/src/motion/cell_opt_utils.F:125:47: - - 125 | new_logger%iter_info%project_name = c_val - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kinetic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kinetic.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'core_ppl.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mo_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mo_methods.F qs_mo_methods.F90 /build/reproducible-path/cp2k-2025.1/src/task_list_methods.F:1014:61: 1014 | ilocal, k, maxdest, Ncpu, Nflux | ^~~~~~ Warning: 'ilocal' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_opt_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_utils.F admm_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'core_ae.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/qs_mo_io.F:881:31: 881 | IF (iset_read > nset_info(iatom)) use_this = .FALSE. @@ -55278,37 +55110,6 @@ 689 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: vecbuffer, vecbuffer_read | ^~~~~~~~~~~~~~ note: 'vecbuffer_read.dim[1].ubound' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:02 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:394:26: - - 394 | nkp_grp = npe/ngr - | ^ -Warning: 'ngr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:303:83: - - 303 | INTEGER :: handle, igr, ik, ikk, ngr, niogrp, nkp, & - | ^~~ -note: 'ngr' declared here -/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:394:26: - - 394 | nkp_grp = npe/ngr - | ^ -Warning: 'ngr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:303:83: - - 303 | INTEGER :: handle, igr, ik, ikk, ngr, niogrp, nkp, & - | ^~~ -note: 'ngr' declared here -/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:394:26: - - 394 | nkp_grp = npe/ngr - | ^ -Warning: 'ngr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:303:83: - - 303 | INTEGER :: handle, igr, ik, ikk, ngr, niogrp, nkp, & - | ^~~ -note: 'ngr' declared here /build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:1631:19: 1631 | END IF @@ -55319,8 +55120,7 @@ 1585 | LOGICAL :: do_distribute, is_root_rank | ^~~~~~~~~ note: 'irow_proc' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_opt_utils.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_utils.F90 /build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:944:22: 944 | send_buffer(offset_send_mepos + 1:offset_send_mepos + ncols_local) = & @@ -55331,30 +55131,22 @@ 810 | INTEGER(kind=int_8) :: n_nonzero_elements_dbcsr, & | ^~~~~~~~~ note: 'irow_proc' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_output.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/qs_kinetic.F:244:10: - - 244 | IF (dokp) THEN - | ^ -Warning: 'dokp' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_kinetic.F:175:86: - - 175 | LOGICAL :: do_forces, do_symmetric, dokp, found, & - | ^~~~ -note: 'dokp' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_kinetic.F:282:46: - - 282 | !$OMP REDUCTION (+ : pv_thread, force_thread ) - | ^ -Warning: 'use_cell_mapping' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_kinetic.F:176:68: - - 176 | trans, use_cell_mapping, use_virial - | ^~~~~~~~~~~~~~~~ -note: 'use_cell_mapping' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_pol_scf.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_derivatives.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mo_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mo_methods.F qs_mo_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_write_output.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc_write_output.F xc_write_output.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_output.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_output.F atom_output.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc.F xc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mo_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mo_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_write_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_write_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc.F90 /build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:729:22: 729 | reorder_recv_buffer(offset_send_mepos + 1:offset_send_mepos + ncols_local) = & @@ -55365,25 +55157,55 @@ 430 | inode_proc, iproc, irequest, irow_blk, irow_local, irow_proc, mepos, n_image_ind, & | ^~~~~~~~~ note: 'irow_proc' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mo_io.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_write_output.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/task_list_methods.F:401:46: +/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:270:10: - 401 | task_list%npairs(igrid_level) = ipair + 270 | IF (dokp) THEN + | ^ +Warning: 'dokp' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:194:86: + + 194 | LOGICAL :: do_forces, do_symmetric, dokp, found, & + | ^~~~ +note: 'dokp' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:313:46: + + 313 | !$OMP REDUCTION (+ : pv_thread, force_thread ) | ^ -Warning: 'igrid_level' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/task_list_methods.F:135:67: +Warning: 'use_cell_mapping' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:195:68: - 135 | INTEGER :: cindex, curr_tasks, handle, i, iatom, iatom_old, igrid_level, igrid_level_old, & - | ^~~~~~~~~~~ -note: 'igrid_level' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kinetic.mod' due to: target does not exist + 195 | trans, use_cell_mapping, use_virial + | ^~~~~~~~~~~~~~~~ +note: 'use_cell_mapping' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mo_io.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_io.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_io.F kpoint_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:03 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_io.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:868:50: + + 868 | !$OMP REDUCTION (+ : virial_thread, force_thread ) + | ^ +Warning: 'dokp' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:802:75: + + 802 | LOGICAL :: do_symmetric, dokp, found, trans, & + | ^~~~ +note: 'dokp' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:868:50: + + 868 | !$OMP REDUCTION (+ : virial_thread, force_thread ) + | ^ +Warning: 'use_cell_mapping' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:803:61: + + 803 | use_cell_mapping, use_virial + | ^~~~~~~~~~~~~~~~ +note: 'use_cell_mapping' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_oce_methods.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:289:10: 289 | IF (nrows_local == 0) nrows_local = 1 @@ -55404,29 +55226,233 @@ 178 | INTEGER :: handle, iatom, icol, icol_blk, icol_local, image, image_j, image_k, irow, & | ^~~~ note: 'irow' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_overlap.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kinetic.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kinetic.F qs_kinetic.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kinetic.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kinetic.F90 +/build/reproducible-path/cp2k-2025.1/src/task_list_methods.F:401:46: + + 401 | task_list%npairs(igrid_level) = ipair + | ^ +Warning: 'igrid_level' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/task_list_methods.F:135:67: + + 135 | INTEGER :: cindex, curr_tasks, handle, i, iatom, iatom_old, igrid_level, igrid_level_old, & + | ^~~~~~~~~~~ +note: 'igrid_level' was declared here +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: + + 142 | blkint + | ^~~~~~ +Warning: 'blkint.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:623:119: + + 623 | MATMUL(blkint(1:nb, 1:np, 1), TRANSPOSE(acint(1:na, 1:np, 1))) + | ^ +Warning: 'blkint.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: + + 142 | blkint + | ^~~~~~ +note: 'blkint.offset' was declared here +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: Warning: 'blkint.span' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: Warning: 'blkint.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:625:119: + + 625 | MATMUL(blkint(1:nb, 1:np, 2), TRANSPOSE(acint(1:na, 1:np, 1))) + | ^ +Warning: 'blkint.dim[0].lbound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: + + 142 | blkint + | ^~~~~~ +note: 'blkint.dim[0].lbound' was declared here +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:623:119: + + 623 | MATMUL(blkint(1:nb, 1:np, 1), TRANSPOSE(acint(1:na, 1:np, 1))) + | ^ +Warning: 'blkint.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: + + 142 | blkint + | ^~~~~~ +note: 'blkint.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:625:119: + + 625 | MATMUL(blkint(1:nb, 1:np, 2), TRANSPOSE(acint(1:na, 1:np, 1))) + | ^ +Warning: 'blkint.dim[1].lbound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: + + 142 | blkint + | ^~~~~~ +note: 'blkint.dim[1].lbound' was declared here +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:623:119: + + 623 | MATMUL(blkint(1:nb, 1:np, 1), TRANSPOSE(acint(1:na, 1:np, 1))) + | ^ +Warning: 'blkint.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: + + 142 | blkint + | ^~~~~~ +note: 'blkint.dim[2].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:625:119: + + 625 | MATMUL(blkint(1:nb, 1:np, 2), TRANSPOSE(acint(1:na, 1:np, 1))) + | ^ +Warning: 'blkint.dim[2].lbound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:142:61: + + 142 | blkint + | ^~~~~~ +note: 'blkint.dim[2].lbound' was declared here +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: + + 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & + | ^~~~~~ +Warning: 'alkint.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:615:119: + + 615 | MATMUL(alkint(1:na, 1:np, 1), TRANSPOSE(bcint(1:nb, 1:np, 1))) + | ^ +Warning: 'alkint.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: + + 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & + | ^~~~~~ +note: 'alkint.offset' was declared here +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: Warning: 'alkint.span' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: Warning: 'alkint.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:617:119: + + 617 | MATMUL(alkint(1:na, 1:np, 2), TRANSPOSE(bcint(1:nb, 1:np, 1))) + | ^ +Warning: 'alkint.dim[0].lbound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: + + 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & + | ^~~~~~ +note: 'alkint.dim[0].lbound' was declared here +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:615:119: + + 615 | MATMUL(alkint(1:na, 1:np, 1), TRANSPOSE(bcint(1:nb, 1:np, 1))) + | ^ +Warning: 'alkint.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: + + 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & + | ^~~~~~ +note: 'alkint.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:617:119: + + 617 | MATMUL(alkint(1:na, 1:np, 2), TRANSPOSE(bcint(1:nb, 1:np, 1))) + | ^ +Warning: 'alkint.dim[1].lbound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: + + 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & + | ^~~~~~ +note: 'alkint.dim[1].lbound' was declared here +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:615:119: + + 615 | MATMUL(alkint(1:na, 1:np, 1), TRANSPOSE(bcint(1:nb, 1:np, 1))) + | ^ +Warning: 'alkint.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: + + 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & + | ^~~~~~ +note: 'alkint.dim[2].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:617:119: + + 617 | MATMUL(alkint(1:na, 1:np, 2), TRANSPOSE(bcint(1:nb, 1:np, 1))) + | ^ +Warning: 'alkint.dim[2].lbound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:141:76: + + 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & + | ^~~~~~ +note: 'alkint.dim[2].lbound' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'smeagol_matrix_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:394:26: + + 394 | nkp_grp = npe/ngr + | ^ +Warning: 'ngr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:303:83: + + 303 | INTEGER :: handle, igr, ik, ikk, ngr, niogrp, nkp, & + | ^~~ +note: 'ngr' declared here +/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:394:26: + + 394 | nkp_grp = npe/ngr + | ^ +Warning: 'ngr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:303:83: + + 303 | INTEGER :: handle, igr, ik, ikk, ngr, niogrp, nkp, & + | ^~~ +note: 'ngr' declared here +/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:394:26: + + 394 | nkp_grp = npe/ngr + | ^ +Warning: 'ngr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/kpoint_methods.F:303:83: + + 303 | INTEGER :: handle, igr, ik, ikk, ngr, niogrp, nkp, & + | ^~~ +note: 'ngr' declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'task_list_methods.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mo_methods.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_io.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_wfn_mix.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_wfn_mix.F qs_scf_wfn_mix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_wfn_mix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_wfn_mix.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'task_list_methods.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_wfn_mix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_wfn_mix.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_output.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'smeagol_matrix_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_methods.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/qs_kinetic.F:244:10: + + 244 | IF (dokp) THEN + | ^ +Warning: 'dokp' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_kinetic.F:175:86: + + 175 | LOGICAL :: do_forces, do_symmetric, dokp, found, & + | ^~~~ +note: 'dokp' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_kinetic.F:282:46: + + 282 | !$OMP REDUCTION (+ : pv_thread, force_thread ) + | ^ +Warning: 'use_cell_mapping' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_kinetic.F:176:68: + + 176 | trans, use_cell_mapping, use_virial + | ^~~~~~~~~~~~~~~~ +note: 'use_cell_mapping' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_wfn_mix.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_io.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kinetic.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ewalds_multipole.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'core_ppl.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_pol_scf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_pol_scf.F fist_pol_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_pol_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_pol_scf.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_pol_scf.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/commutator_rpnl.F:1941:69: - - 1941 | !$ hash = MOD((iatom - 1)*natom + jatom, nlock) + 1 - | ^ -Warning: 'natom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/commutator_rpnl.F:1798:61: - - 1798 | natom, nb, nkind, np, order, slot - | ^~~~~ -note: 'natom' was declared here /build/reproducible-path/cp2k-2025.1/src/core_ppnl.F:458:111: 458 | work(1:np, 1:nb) = MATMUL(sab(1:np, first_col:first_col + nprjc - 1), cprj(1:nprjc, 1:nb)) @@ -55437,6 +55463,16 @@ 118 | maxsgf, na, natom, nb, ncoa, ncoc, nkind, nlist, nneighbor, nnl, np, nppnl, nprjc, nseta, & | ^~~~~ note: 'nprjc' was declared here +/build/reproducible-path/cp2k-2025.1/src/commutator_rpnl.F:1941:69: + + 1941 | !$ hash = MOD((iatom - 1)*natom + jatom, nlock) + 1 + | ^ +Warning: 'natom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/commutator_rpnl.F:1798:61: + + 1798 | natom, nb, nkind, np, order, slot + | ^~~~~ +note: 'natom' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'core_ppnl.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_types.mod' due to: target does not exist @@ -55447,9 +55483,14 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_compression_methods.F hfx_compression_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_libint_interface.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_libint_interface.F hfx_libint_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:16 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:16 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_compression_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_compression_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:16 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_libint_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_compression_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_compression_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_libint_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_libint_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_env_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_compression_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_store_int_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_store_int_types.F semi_empirical_store_int_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_store_int_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_store_int_types.F90 /build/reproducible-path/cp2k-2025.1/src/hfx_libint_interface.F:259:37: 259 | factor = factor*S1234*SQRT(tmp) @@ -55462,21 +55503,16 @@ note: 'factor' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ec_env_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_compression_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_store_int_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_store_int_types.F semi_empirical_store_int_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_store_int_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_store_int_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_store_int_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_integrals.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/semi_empirical_integrals.F semi_empirical_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"semi_empirical_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' semi_empirical_integrals.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_integrals.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_fock_matrix_integrals.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_integrals.F se_fock_matrix_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:14:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_integrals.F90 /build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_integrals.F:1068:24: 1068 | REAL(KIND=dp) :: ch_i, ch_j, ef0_i, ef0_j, eloc, energy, fac, fac_ij, ir, irab2, r, tij, & @@ -55487,15 +55523,35 @@ 1068 | REAL(KIND=dp) :: ch_i, ch_j, ef0_i, ef0_j, eloc, energy, fac, fac_ij, ir, irab2, r, tij, & | ^~~~ Warning: 'ch_j' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix_integrals.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_libint_interface.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix_integrals.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_atom.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_atom.F xc_atom.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_vxc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vxc.F qs_vxc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vxc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vxc.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_atom.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a xc_fxc_kernel.o xc_derivative_desc.o xc_input_constants.o xc_pbe.o xc_derivative_set_types.o xc_cs1.o xc_rho_set_types.o xc_exchange_gga.o xc_xpbe_hole_t_c_lr.o xc_lyp_adiabatic.o xc_xwpbe.o xc_perdew_zunger.o xc_b97_fxc.o xc_atom.o xc_derivative_types.o xc_xalpha.o xc_derivatives.o xc_vwn.o xc_tfw.o xc_hcth.o xc_xbecke88_long_range.o xc_tpss.o xc.o xc_perdew86.o xc_libxc.o xc_perdew_wang.o xc_libxc_wrap.o xc_xlda_hole_t_c_lr.o xc_xbecke88_lr_adiabatic.o xc_b97.o xc_pade.o xc_functionals_utilities.o xc_rho_cflags_types.o xc_lyp.o xc_xbeef.o xc_thomas_fermi.o xc_ke_gga.o xc_xbecke88.o xc_xbecke_roussel.o xc_util.o cp_linked_list_xc_deriv.o xc_xbr_pbe_lda_hole_t_c_lr.o xc_optx.o +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_xc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_xc.F atom_xc.F90 +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_xc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_xc.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_lattice_summation.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_error_control.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_error_control.F eri_mme_error_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_error_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_error_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_error_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_error_control.F90 /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_error_control.F:356:40: 356 | zet_c = zet_b - gr*(zet_b - zet_a) @@ -55520,12 +55576,17 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_types.F eri_mme_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:41 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_xc.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_electronic_structure.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F atom_electronic_structure.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_integrate.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_integrate.F eri_mme_integrate.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_integrate.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_integrate.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_integrate.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_integrate.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_electronic_structure.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_electronic_structure.F90 /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_integrate.F:718:39: 718 | /vol*mone_lb @@ -55546,6 +55607,26 @@ 332 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: S_G_0 | ^~~~~ note: 's_g_0.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:664:13: + + 664 | IF (need_x) THEN + | ^ +Warning: 'need_x' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:454:61: + + 454 | need_x, need_xc + | ^~~~~~ +note: 'need_x' was declared here +/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:691:13: + + 691 | IF (need_xc) THEN + | ^ +Warning: 'need_xc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:454:69: + + 454 | need_x, need_xc + | ^~~~~~~ +note: 'need_xc' was declared here /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_integrate.F:93:61: 93 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: S_G @@ -55555,15 +55636,7 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eri_mme_test.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_test.F eri_mme_test.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_test.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_atom.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc/xc_atom.F xc_atom.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_vxc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vxc.F qs_vxc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vxc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc/xc_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/xc/' xc_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eri_mme/eri_mme_test.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/eri_mme/' eri_mme_test.F90 /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_test.F:77:69: 77 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: I_diff, I_ref, I_test @@ -55572,28 +55645,38 @@ /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_test.F:77:69: Warning: 'i_ref.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_test.F:77:69: Warning: 'i_ref.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_test.F:77:69: Warning: 'i_ref.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:322:13: + + 322 | IF (need_x) THEN + | ^ +Warning: 'need_x' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:137:61: + + 137 | need_x, need_xc, need_zmp + | ^~~~~~ +note: 'need_x' was declared here +/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:342:13: + + 342 | IF (need_xc) THEN + | ^ +Warning: 'need_xc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:137:69: + + 137 | need_x, need_xc, need_zmp + | ^~~~~~~ +note: 'need_xc' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_test.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vxc.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a eri_mme_integrate.o eri_mme_util.o eri_mme_gaussian.o eri_mme_test.o eri_mme_lattice_summation.o eri_mme_types.o eri_mme_error_control.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a eri_mme_error_control.o eri_mme_types.o eri_mme_gaussian.o eri_mme_util.o eri_mme_test.o eri_mme_lattice_summation.o eri_mme_integrate.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_eri_mme_interface.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_eri_mme_interface.F cp_eri_mme_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_eri_mme_interface.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_atom.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_eri_mme_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_eri_mme_interface.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_electronic_structure.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a xc_xbecke88_long_range.o xc_xbr_pbe_lda_hole_t_c_lr.o xc_derivative_desc.o xc_libxc_wrap.o xc_functionals_utilities.o xc_util.o xc_xpbe_hole_t_c_lr.o xc_tpss.o xc_cs1.o xc_lyp_adiabatic.o xc_perdew_zunger.o xc_xbeef.o xc_xbecke88.o xc_xwpbe.o xc_b97_fxc.o xc_tfw.o xc_xlda_hole_t_c_lr.o xc_pade.o xc_ke_gga.o xc_atom.o xc_rho_set_types.o xc_b97.o xc_xalpha.o xc_xbecke_roussel.o xc_lyp.o xc_perdew_wang.o cp_linked_list_xc_deriv.o xc_pbe.o xc_optx.o xc_derivative_types.o xc_derivative_set_types.o xc_exchange_gga.o xc_libxc.o xc.o xc_rho_cflags_types.o xc_vwn.o xc_fxc_kernel.o xc_perdew86.o xc_xbecke88_lr_adiabatic.o xc_thomas_fermi.o xc_input_constants.o xc_hcth.o xc_derivatives.o -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_xc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_xc.F atom_xc.F90 -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:50 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_xc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_xc.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_eri_mme_interface.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_types_low.o' due to: target does not exist @@ -55604,10 +55687,10 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_mp2.F input_cp2k_mp2.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_qmmm.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_qmmm.F input_cp2k_qmmm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types_low.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_types_low.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qmmm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_qmmm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mp2.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_mp2.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_qmmm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_qmmm.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types_low.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_types_low.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_mp2.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_mp2.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_types_low.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_environment_types.o' due to: target does not exist @@ -55626,37 +55709,20 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_per_elpot.F qmmm_per_elpot.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_pw_grid.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_pw_grid.F qmmm_pw_grid.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_topology_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_topology_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_links_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_links_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_per_elpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_per_elpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_all.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_all.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_elpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_elpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_pw_grid.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_pw_grid.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_qmmm.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_topology_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_topology_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_all.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_all.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_links_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_links_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_per_elpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_per_elpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_elpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_elpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:15:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_pw_grid.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_pw_grid.F90 /build/reproducible-path/cp2k-2025.1/src/topology_util.F:977:61: 977 | upper_sym_1 = id2str(atom_info%id_element(iatom)) | 1 Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_links_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_topology_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_mp2.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_xc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_xc.F input_cp2k_xc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_xc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_pw_grid.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_elpot.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_environment_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_qmmm.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qmmm_per_elpot.F:184:54: @@ -55668,6 +55734,22 @@ 98 | REAL(KIND=dp) :: Ak, alpha, box(3), Fac(3), fs, g, g2, & | ^~ note: 'fs' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_topology_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_mp2.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_elpot.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_pw_grid.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_environment_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_links_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_xc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_xc.F input_cp2k_xc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_environment_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_environment_types.F qs_environment_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_pair_list_methods.o' due to: target does not exist @@ -55676,12 +55758,13 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_setup.F mp2_setup.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_ri_grad_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_ri_grad_util.F mp2_ri_grad_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pair_list_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_pair_list_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_setup.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_setup.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_grad_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_xc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pair_list_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_pair_list_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_per_elpot.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_setup.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_setup.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_grad_util.F90 /build/reproducible-path/cp2k-2025.1/src/force_fields_all.F:2658:56: 2658 | epsilon0 = SQRT(ABS(epsilon_a*epsilon_b)) @@ -55722,13 +55805,6 @@ 2557 | ewald_rcut, rmin, rmin2_a, rmin2_b | ^~~~~~~ note: 'rmin2_b' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_xc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_electronic_structure.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F atom_electronic_structure.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_setup.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_electronic_structure.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_electronic_structure.F90 /build/reproducible-path/cp2k-2025.1/src/hfx_pair_list_methods.F:297:46: 297 | factor = factor*S1234*SQRT(tmp) @@ -55739,47 +55815,29 @@ 83 | REAL(dp) :: C11(3), den, Eta, EtaInv, factor, Fm(prim_data_f_size), G(3), num, omega2, & | ^~~~~~ note: 'factor' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_xc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_ec.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_ec.F input_cp2k_ec.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_atom.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_atom.F input_cp2k_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ec.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_ec.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_atom.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_pair_list_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_setup.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_util.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_load_balance_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F hfx_load_balance_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_generate_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F topology_generate_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_coordinate_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_coordinate_util.F topology_coordinate_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_coordinate_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_coordinate_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_generate_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_generate_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_load_balance_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_load_balance_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:664:13: - - 664 | IF (need_x) THEN - | ^ -Warning: 'need_x' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:454:61: - - 454 | need_x, need_xc - | ^~~~~~ -note: 'need_x' was declared here -/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:691:13: - - 691 | IF (need_xc) THEN - | ^ -Warning: 'need_xc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:454:69: - - 454 | need_x, need_xc - | ^~~~~~~ -note: 'need_xc' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_coordinate_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_coordinate_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_generate_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_generate_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_pair_list_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_load_balance_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F hfx_load_balance_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_load_balance_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_load_balance_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_xc.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_ec.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_ec.F input_cp2k_ec.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_atom.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_atom.F input_cp2k_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_ec.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_ec.F90 /build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1896:59: 1896 | atm_symbol = id2str(atom_info%id_element(i)) @@ -55790,33 +55848,10 @@ 629 | upper_sym_1 = id2str(atom_info%id_element(iatom)) | 1 Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_ec.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_print_dft.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_print_dft.F input_cp2k_print_dft.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_print_dft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_print_dft.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_atom.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields_all.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2358:45: - - 2358 | shm_bins_per_rank(i_thread + 1) = nbins - | ^ -Warning: 'nbins' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2336:79: - - 2336 | INTEGER :: i, j, k, my_rank, nbins, nranks, & - | ^~~~~ -note: 'nbins' was declared here -/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2416:41: - - 2416 | ALLOCATE (buffer_out(2*total_bins)) - | ^ -Warning: 'total_bins' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2337:61: - - 2337 | total_bins - | ^~~~~~~~~~ -note: 'total_bins' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_fields_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_fields_util.F force_fields_util.F90 /build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1655:34: 1655 | ind = wrk(i)%array1(j) @@ -55847,6 +55882,7 @@ 1600 | TYPE(array1_list_type), DIMENSION(:), POINTER :: wrk | ^~~ note: 'wrk.dim[0].stride' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_util.F90 /build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1177:22: 1177 | IF (do_it > 0) THEN @@ -55857,6 +55893,33 @@ 1082 | INTEGER :: do_action, do_it, i, j, k, n_rep, & | ^~~~~ note: 'do_it' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_ec.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2358:45: + + 2358 | shm_bins_per_rank(i_thread + 1) = nbins + | ^ +Warning: 'nbins' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2336:79: + + 2336 | INTEGER :: i, j, k, my_rank, nbins, nranks, & + | ^~~~~ +note: 'nbins' was declared here +/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2416:41: + + 2416 | ALLOCATE (buffer_out(2*total_bins)) + | ^ +Warning: 'total_bins' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:2337:61: + + 2337 | total_bins + | ^~~~~~~~~~ +note: 'total_bins' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_print_dft.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_print_dft.F input_cp2k_print_dft.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_atom.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_print_dft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_print_dft.F90 /build/reproducible-path/cp2k-2025.1/src/hfx_get_pmax_val.fypp:230:54: 230 | pmax_val = MAX(pmax_1 + pmax_2, pmax_3 + pmax_4) @@ -56027,39 +56090,6 @@ 1995 | REAL(dp), DIMENSION(:, :), POINTER :: ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4 | ^~~~~~~ note: 'ptr_p_4.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields_all.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_fields_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_fields_util.F force_fields_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_ri_grad_util.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_communication.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_communication.F rpa_communication.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_ri_gpw.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_ri_gpw.F mp2_ri_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_communication.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_communication.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:57:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_gpw.F90 -/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:322:13: - - 322 | IF (need_x) THEN - | ^ -Warning: 'need_x' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:137:61: - - 137 | need_x, need_xc, need_zmp - | ^~~~~~ -note: 'need_x' was declared here -/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:342:13: - - 342 | IF (need_xc) THEN - | ^ -Warning: 'need_xc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_electronic_structure.F:137:69: - - 137 | need_x, need_xc, need_zmp - | ^~~~~~~ -note: 'need_xc' was declared here /build/reproducible-path/cp2k-2025.1/src/hfx_load_balance_methods.F:1542:58: 1542 | bin_histogram(my_process_id + 1, 1) = my_bin_size @@ -56070,6 +56100,14 @@ 1491 | INTEGER :: data_from, dest, end_idx, handle, i, ibin, icpu, iprocess, j, mepos, my_bin_size, & | ^~~~~~~~~~~ note: 'my_bin_size' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_ri_grad_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_communication.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_communication.F rpa_communication.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_ri_gpw.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_ri_gpw.F mp2_ri_gpw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_communication.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_communication.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_gpw.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_environment_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_types.o' due to: target does not exist @@ -56092,107 +56130,101 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_output.F cp_dbcsr_output.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_neighbor_lists.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_neighbor_lists.F qs_neighbor_lists.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pw_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"moments_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' moments_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"voronoi_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' voronoi_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dkh_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dkh_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_collocate_density.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_collocate_density.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_tb_coulomb.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_coulomb.F qmmm_tb_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_dmfet_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_dmfet_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_single.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integrate_potential_single.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb3_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb3_methods.F qs_dftb3_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"moments_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' moments_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"voronoi_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' voronoi_interface.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_operators_ao.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F qs_operators_ao.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dkh_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dkh_main.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_integrate_potential_product.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential_product.F qs_integrate_potential_product.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_dmfet_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_dmfet_potential.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho0_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho0_methods.F qs_rho0_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho_atom_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho_atom_methods.F qs_rho_atom_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pw_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pw_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_single.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integrate_potential_single.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_collocate_density.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_collocate_density.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_atom.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_atom.F qs_ks_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_output.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_vxc_atom.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vxc_atom.F qs_vxc_atom.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_core_energies.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_core_energies.F qs_core_energies.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_tb_coulomb.F90 +/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:763:35: + + 763 | rbond2 = rbond*rbond + | ^ +Warning: 'rbond' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:578:91: + + 578 | ksign, my_maxrad, r2, r2_min, rbond, & + | ^~~~~ +note: 'rbond' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gspace_mixing.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F qs_gspace_mixing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_neighbor_lists.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb3_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb3_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_dbcsr_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_dbcsr_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_neighbor_lists.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_neighbor_lists.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_tb_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb3_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb3_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_operators_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_operators_ao.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_product.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integrate_potential_product.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho0_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ec_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ec_methods.F ec_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_atom_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vxc_atom.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_environment_init.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_environment_init.F lri_environment_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential_product.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integrate_potential_product.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_operators_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_operators_ao.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_cnum.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_cnum.F qs_dispersion_cnum.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_d2.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d2.F qs_dispersion_d2.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho0_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_utils.F qs_dispersion_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_atom_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_atom_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_external_density.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_external_density.F qs_external_density.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_energies.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_core_energies.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gspace_mixing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gspace_mixing.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gcp_method.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gcp_method.F qs_gcp_method.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_energies.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_core_energies.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_environment_init.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc_forces.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_ddapc_forces.F cp_ddapc_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_cnum.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_cnum.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hartree_local_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hartree_local_methods.F hartree_local_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_environment_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vxc_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vxc_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gspace_mixing.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gspace_mixing.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_cnum.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_cnum.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_d2.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_d2.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_communication.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_communication.F hfx_communication.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_screening_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_screening_methods.F hfx_screening_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gcp_method.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_d2.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_d2.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_density.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_external_density.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_communication.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_communication.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hartree_local_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_screening_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_screening_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_adiabatic_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc_adiabatic_methods.F xc_adiabatic_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_forces.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_forces.F lri_forces.F90 -/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:763:35: - - 763 | rbond2 = rbond*rbond - | ^ -Warning: 'rbond' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:578:91: - - 578 | ksign, my_maxrad, r2, r2_min, rbond, & - | ^~~~~ -note: 'rbond' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_adiabatic_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:02 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_forces.F90 -/build/reproducible-path/cp2k-2025.1/src/voronoi_interface.F:70:15: - - 70 | INTEGER :: step_count = 0 - | 1~~~~~~~~~ -Warning: Unused PRIVATE module variable 'step_count' declared at (1) [-Wunused-value] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'preconditioner.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/preconditioner.F preconditioner.F90 -/build/reproducible-path/cp2k-2025.1/src/voronoi_interface.F:832:4: - - 832 | SUBROUTINE molecular_properties(subsys, cell, sim_step, sim_time, iounit, & - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'molecular_properties' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_sccs.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_sccs.F qs_sccs.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hartree_local_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hartree_local_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gcp_method.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_communication.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_communication.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_screening_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_screening_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_density.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_external_density.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_adiabatic_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_sccs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_sccs.F90 /build/reproducible-path/cp2k-2025.1/src/dkh_main.F:101:4: 101 | SUBROUTINE DKH_full_transformation(qs_env, matrix_s, matrix_v, matrix_t, matrix_pVp, n, dkh_order) @@ -56203,19 +56235,6 @@ 713 | SUBROUTINE even4a(n, ev4, e1, pe1p, vv, gg) | ^~~~~~~~~~~~~~~~~ Warning: 'even4a' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_utils.F:345:74: - - 345 | "PRINT%DFT_CONTROL_PARAMETERS") - | ^ -Warning: 'dft_section' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_utils.F:231:61: - - 231 | TYPE(section_vals_type), POINTER :: dft_section - | ^~~~~~~~~~~ -note: 'dft_section' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_sccs.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_sccs.F qs_sccs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:02 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"preconditioner.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' preconditioner.F90 /build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:497:101: 497 | atom_info%map_mol_typ(ilast + 1), atom_info%map_mol_num(ilast + 1)) @@ -56228,17 +56247,68 @@ note: 'ilast' declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_qmmm_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_qmmm_methods.F qs_ks_qmmm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_sccs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_sccs.F90 -/build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_output.F:238:10: +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_fock_matrix_coulomb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_coulomb.F se_fock_matrix_coulomb.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_utils.F:345:74: - 238 | IF (print_sym) THEN - | ^ -Warning: 'print_sym' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_output.F:175:78: + 345 | "PRINT%DFT_CONTROL_PARAMETERS") + | ^ +Warning: 'dft_section' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_utils.F:231:61: - 175 | LOGICAL :: my_omit_headers, print_sym - | ^~~~~~~~~ -note: 'print_sym' was declared here + 231 | TYPE(section_vals_type), POINTER :: dft_section + | ^~~~~~~~~~~ +note: 'dft_section' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_qmmm_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:319:41: + + 319 | filename = mpi_filename + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:402:47: + + 402 | filename = mpi_filename + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:641:41: + + 641 | filename = mpi_filename + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:706:41: + + 706 | filename = mpi_filename + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:739:41: + + 739 | filename = mpi_filename + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_coulomb.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_fock_matrix_exchange.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_exchange.F se_fock_matrix_exchange.F90 +/build/reproducible-path/cp2k-2025.1/src/voronoi_interface.F:70:15: + + 70 | INTEGER :: step_count = 0 + | 1~~~~~~~~~ +Warning: Unused PRIVATE module variable 'step_count' declared at (1) [-Wunused-value] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_matrix_w.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_matrix_w.F qs_matrix_w.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'surface_dipole.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/surface_dipole.F surface_dipole.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_exchange.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_exchange.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_w.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_matrix_w.F90 +/build/reproducible-path/cp2k-2025.1/src/pw_env_methods.F:833:16: + + 833 | IF (igrid_zet0_s == igrid_level) maxradius = MAX(maxradius, max_rpgf0_s) + | ^ +Warning: 'igrid_zet0_s' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw_env_methods.F:787:56: + + 787 | INTEGER :: handle, ibasis_set_type, igrid_level, igrid_zet0_s, ikind, ipgf, iset, ishell, & + | ^~~~~~~~~~~~ +note: 'igrid_zet0_s' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:1508:13: 1508 | IF (jatom /= last_jatom) THEN @@ -56249,12 +56319,24 @@ 1362 | jkind, jpgf, jset, last_jatom, lda_min, ldab, ldb_min, ldsa, ldsb, ldwork, M_dim, maxl, & | ^~~~~~~~~~ note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_fock_matrix_coulomb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_coulomb.F se_fock_matrix_coulomb.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_fock_matrix_exchange.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_exchange.F se_fock_matrix_exchange.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_qmmm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_qmmm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"surface_dipole.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' surface_dipole.F90 +/build/reproducible-path/cp2k-2025.1/src/voronoi_interface.F:832:4: + + 832 | SUBROUTINE molecular_properties(subsys, cell, sim_step, sim_time, iounit, & + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'molecular_properties' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/pw_env_methods.F:1061:45: + + 1061 | 1, (/-1, -1, -1/)) + | ^ +Warning: 'border_points' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw_env_methods.F:1043:61: + + 1043 | INTEGER :: border_points, handle + | ^~~~~~~~~~~~~ +note: 'border_points' declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_core_core.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_core_core.F se_core_core.F90 /build/reproducible-path/cp2k-2025.1/src/qs_rho0_methods.F:193:69: 193 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as @@ -56265,19 +56347,77 @@ 193 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as | ^~~~~~ Warning: 'cpc_ah.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_matrix_w.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_matrix_w.F qs_matrix_w.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'surface_dipole.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/surface_dipole.F surface_dipole.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_exchange.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_exchange.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_core_core.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_core_core.F se_core_core.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_hcore.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_hcore.F xtb_hcore.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_core.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_core_core.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_env_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_env_methods.F almo_scf_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_matrix_w.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_matrix_w.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"surface_dipole.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' surface_dipole.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_basis_rotation_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_basis_rotation_methods.F qs_basis_rotation_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mixing_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mixing_utils.F qs_mixing_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_hcore.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_hcore.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gcp_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gcp_utils.F qs_gcp_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_rotation_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_basis_rotation_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mixing_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mixing_utils.F90 +/build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_output.F:238:10: + + 238 | IF (print_sym) THEN + | ^ +Warning: 'print_sym' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_output.F:175:78: + + 175 | LOGICAL :: my_omit_headers, print_sym + | ^~~~~~~~~ +note: 'print_sym' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_collocate_density.F:2150:10: + + 2150 | IF (distributed_rs_grids) THEN + | ^ +Warning: 'distributed_rs_grids' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_collocate_density.F:2050:80: + + 2050 | LOGICAL :: atom_pair_changed, distributed_rs_grids, & + | ^~~~~~~~~~~~~~~~~~~~ +note: 'distributed_rs_grids' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gcp_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_diis.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_diis.F qs_diis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_diis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_potentials.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_potentials.F pao_potentials.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_linpot_full.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_linpot_full.F pao_linpot_full.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_collocate_density.F:1765:10: + + 1765 | IF (distributed_rs_grids) THEN + | ^ +Warning: 'distributed_rs_grids' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_collocate_density.F:1662:80: + + 1662 | LOGICAL :: atom_pair_changed, distributed_rs_grids, & + | ^~~~~~~~~~~~~~~~~~~~ +note: 'distributed_rs_grids' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_potentials.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_potentials.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_full.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_linpot_full.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:1221:13: + + 1221 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:1095:10: + + 1095 | last_jatom, ldab, ldsa, ldsb, ldwork, M_dim, maxl, ncoa, ncob, nkind, nseta, nsetb, sgfa, & + | ^~~~~~~~~~ +note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_linpot_rotinv.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_linpot_rotinv.F pao_linpot_rotinv.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_model.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_model.F pao_model.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_nonscf_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_nonscf_utils.F qs_nonscf_utils.F90 /build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential_single.F:1062:38: 1062 | CALL para_env%sum(pblk) @@ -56319,35 +56459,9 @@ | ^~~~ note: 'pblk.offset' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential_single.F:996:95: Warning: 'pblk.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_basis_rotation_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_basis_rotation_methods.F qs_basis_rotation_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_core.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_core_core.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_env_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mixing_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mixing_utils.F qs_mixing_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_hcore.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_hcore.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gcp_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gcp_utils.F qs_gcp_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_diis.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_diis.F qs_diis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mixing_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mixing_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_rotation_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_basis_rotation_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gcp_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gcp_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_diis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_diis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_potentials.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_potentials.F pao_potentials.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_linpot_full.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_linpot_full.F pao_linpot_full.F90 -/build/reproducible-path/cp2k-2025.1/src/pw_env_methods.F:833:16: - - 833 | IF (igrid_zet0_s == igrid_level) maxradius = MAX(maxradius, max_rpgf0_s) - | ^ -Warning: 'igrid_zet0_s' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw_env_methods.F:787:56: - - 787 | INTEGER :: handle, ibasis_set_type, igrid_level, igrid_zet0_s, ikind, ipgf, iset, ishell, & - | ^~~~~~~~~~~~ -note: 'igrid_zet0_s' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_rotinv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_linpot_rotinv.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_model.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_model.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nonscf_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_nonscf_utils.F90 /build/reproducible-path/cp2k-2025.1/src/qs_neighbor_lists.F:1175:53: 1175 | CPABORT("") @@ -56368,49 +56482,62 @@ 1051 | kcell, maxat, mol_a, mol_b, nkind, otype, natom, inode, nnode, nentry | ^~~~~ note: 'mol_b' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_potentials.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_potentials.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_linpot_rotinv.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_linpot_rotinv.F pao_linpot_rotinv.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:1221:13: +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'min_basis_set.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/min_basis_set.F min_basis_set.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F qs_loc_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mao_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mao_methods.F mao_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"min_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' min_basis_set.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_chargemol.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F qs_chargemol.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dos.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dos.F qs_dos.F90 +/build/reproducible-path/cp2k-2025.1/src/se_core_core.F:208:53: - 1221 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:1095:10: + 208 | dr3inv = -3.0_dp*rij*r3inv*r2inv + | ^ +Warning: 'r2inv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/se_core_core.F:91:71: - 1095 | last_jatom, ldab, ldsa, ldsb, ldwork, M_dim, maxl, ncoa, ncob, nkind, nseta, nsetb, sgfa, & - | ^~~~~~~~~~ -note: 'last_jatom' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_full.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_linpot_full.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_model.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_model.F pao_model.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_linpot_rotinv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_linpot_rotinv.F90 -/build/reproducible-path/cp2k-2025.1/src/pw_env_methods.F:1061:45: + 91 | enuclear, r2inv, r3inv, rinv + | ^~~~~ +note: 'r2inv' was declared here +/build/reproducible-path/cp2k-2025.1/src/se_core_core.F:208:53: - 1061 | 1, (/-1, -1, -1/)) - | ^ -Warning: 'border_points' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw_env_methods.F:1043:61: + 208 | dr3inv = -3.0_dp*rij*r3inv*r2inv + | ^ +Warning: 'r3inv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/se_core_core.F:91:78: - 1043 | INTEGER :: border_points, handle - | ^~~~~~~~~~~~~ -note: 'border_points' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_nonscf_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_nonscf_utils.F qs_nonscf_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'min_basis_set.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/min_basis_set.F min_basis_set.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_collocate_density.F:2150:10: + 91 | enuclear, r2inv, r3inv, rinv + | ^~~~~ +note: 'r3inv' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:940:13: - 2150 | IF (distributed_rs_grids) THEN - | ^ -Warning: 'distributed_rs_grids' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_collocate_density.F:2050:80: + 940 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:825:88: - 2050 | LOGICAL :: atom_pair_changed, distributed_rs_grids, & - | ^~~~~~~~~~~~~~~~~~~~ -note: 'distributed_rs_grids' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_model.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_model.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nonscf_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_nonscf_utils.F90 + 825 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & + | ^~~~~~~~~~ +note: 'last_jatom' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_chargemol.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_chargemol.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dos.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_epr_hyp.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_epr_hyp.F qs_epr_hyp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'wannier_states.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/wannier_states.F wannier_states.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_csr_write.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_csr_write.F qs_scf_csr_write.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_distribution_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_distribution_methods.F qs_fb_distribution_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' wannier_states.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'trexio_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/trexio_utils.F trexio_utils.F90 /build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential_product.F:500:127: 500 | work(1:ncob, 1:nsgfa(iset)) = MATMUL(hdab(i, 1:ncob, 1:ncoa), sphi_a(1:ncoa, sgfa:sgfa + nsgfa(iset) - 1)) @@ -56451,97 +56578,98 @@ 120 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb | ^~~~ note: 'sgfb' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"min_basis_set.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' min_basis_set.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F qs_loc_utils.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:940:13: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_epr_hyp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_epr_hyp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_csr_write.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_csr_write.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xray_diffraction.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xray_diffraction.F xray_diffraction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_distribution_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'basis_set_output.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/basis_set_output.F basis_set_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"trexio_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' trexio_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xray_diffraction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xray_diffraction.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:555:13: - 940 | IF (jatom /= last_jatom) THEN + 555 | IF (jatom /= last_jatom) THEN | ^ Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:825:88: +/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:451:88: - 825 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & + 451 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & | ^~~~~~~~~~ note: 'last_jatom' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_utils.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:319:41: - - 319 | filename = mpi_filename - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:402:47: - - 402 | filename = mpi_filename - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:641:41: +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_eri.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_eri.F mp2_eri.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' basis_set_output.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:853:63: - 641 | filename = mpi_filename - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:706:41: + 853 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) + | ^ +Warning: 'dq' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:831:67: - 706 | filename = mpi_filename - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:739:41: + 831 | REAL(KIND=dp) :: diff, dq, dt, f, ln_rho_max, ln_rho_min, & + | ^~ +note: 'dq' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:853:63: - 739 | filename = mpi_filename - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/qs_collocate_density.F:1765:10: + 853 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) + | ^ +Warning: 'ln_rho_max' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:831:78: - 1765 | IF (distributed_rs_grids) THEN - | ^ -Warning: 'distributed_rs_grids' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_collocate_density.F:1662:80: + 831 | REAL(KIND=dp) :: diff, dq, dt, f, ln_rho_max, ln_rho_min, & + | ^~~~~~~~~~ +note: 'ln_rho_max' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:853:63: - 1662 | LOGICAL :: atom_pair_changed, distributed_rs_grids, & - | ^~~~~~~~~~~~~~~~~~~~ -note: 'distributed_rs_grids' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mao_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mao_methods.F mao_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:555:13: + 853 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) + | ^ +Warning: 'q' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:832:61: - 555 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:451:88: + 832 | q, rho, t, x, y + | ^ +note: 'q' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:1101:81: - 451 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & - | ^~~~~~~~~~ -note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_chargemol.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F qs_chargemol.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dos.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dos.F qs_dos.F90 -/build/reproducible-path/cp2k-2025.1/src/se_core_core.F:208:53: + 1101 | !$OMP SHARED(ln_rho_max,norm_drho_elec,rho_elec,q,rho_max,rho_min,ub) + | ^ +Warning: 'ln_rho_max' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:1078:83: - 208 | dr3inv = -3.0_dp*rij*r3inv*r2inv - | ^ -Warning: 'r2inv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/se_core_core.F:91:71: + 1078 | REAL(KIND=dp) :: diff, e, eps_elec, f, ln_rho_max, & + | ^~~~~~~~~~ +note: 'ln_rho_max' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:1101:81: - 91 | enuclear, r2inv, r3inv, rinv - | ^~~~~ -note: 'r2inv' was declared here -/build/reproducible-path/cp2k-2025.1/src/se_core_core.F:208:53: + 1101 | !$OMP SHARED(ln_rho_max,norm_drho_elec,rho_elec,q,rho_max,rho_min,ub) + | ^ +Warning: 'q' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:1079:73: - 208 | dr3inv = -3.0_dp*rij*r3inv*r2inv - | ^ -Warning: 'r3inv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/se_core_core.F:91:78: + 1079 | ln_rho_min, q, rho, t, x, y + | ^ +note: 'q' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_coulomb_2c.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_coulomb_2c.F kpoint_coulomb_2c.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_communication.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_grids.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_grids.F mp2_grids.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:168:83: - 91 | enuclear, r2inv, r3inv, rinv - | ^~~~~ -note: 'r3inv' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_epr_hyp.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_epr_hyp.F qs_epr_hyp.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'wannier_states.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/wannier_states.F wannier_states.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dos.F90 + 168 | extension=".wfx", my_local=.FALSE.) + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_eri.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_coulomb_2c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_coulomb_2c.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qcschema.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qcschema.F qcschema.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'et_coupling.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/et_coupling.F et_coupling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_grids.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_grids.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qcschema.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qcschema.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' et_coupling.F90 /build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:435:34: 435 | b(nb1, 1:nb) = -1.0_dp @@ -56578,28 +56706,21 @@ 291 | inv_err, norm, norm_c_inv, res_norm, & | ^~~~~~~~~~ note: 'norm_c_inv' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_csr_write.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_csr_write.F qs_scf_csr_write.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:07 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_chargemol.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_chargemol.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_epr_hyp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_epr_hyp.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_distribution_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_distribution_methods.F qs_fb_distribution_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'trexio_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/trexio_utils.F trexio_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xray_diffraction.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xray_diffraction.F xray_diffraction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"wannier_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' wannier_states.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_csr_write.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_csr_write.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'basis_set_output.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/basis_set_output.F basis_set_output.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_eri.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_eri.F mp2_eri.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_distribution_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_distribution_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xray_diffraction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xray_diffraction.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kpoint_coulomb_2c.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kpoint_coulomb_2c.F kpoint_coulomb_2c.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"trexio_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' trexio_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"basis_set_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' basis_set_output.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:188:13: + + 188 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:80:88: + + 80 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & + | ^~~~~~~~~~ +note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_integrals.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_integrals.F gw_integrals.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'soc_pseudopotential_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/soc_pseudopotential_methods.F soc_pseudopotential_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_integrals.F90 /build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:119:66: 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab @@ -56636,52 +56757,82 @@ | ^~~~~~~~~~~ note: 'new_block_d.dim[1].stride' was declared here /build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:119:66: Warning: 'new_block_d.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_communication.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:188:13: - - 188 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:80:88: - - 80 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & - | ^~~~~~~~~~ -note: 'last_jatom' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kpoint_coulomb_2c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kpoint_coulomb_2c.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_eri.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_grids.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_grids.F mp2_grids.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qcschema.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qcschema.F qcschema.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_grids.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_grids.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qcschema.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qcschema.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'et_coupling.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/et_coupling.F et_coupling.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_integrals.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_integrals.F gw_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' et_coupling.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'soc_pseudopotential_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/soc_pseudopotential_methods.F soc_pseudopotential_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:09 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_integrals.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_cdft_scf_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_cdft_scf_utils.F qs_cdft_scf_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:09 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"soc_pseudopotential_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' soc_pseudopotential_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:09 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_scf_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_scf_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"soc_pseudopotential_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' soc_pseudopotential_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_epr_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_epr_utils.F qs_linres_epr_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:09 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_epr_utils.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:168:83: - - 168 | extension=".wfx", my_local=.FALSE.) - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_nmr_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_nmr_utils.F qs_linres_nmr_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_scf_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_scf_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_stda_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_stda_types.F qs_tddfpt2_stda_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_epr_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_assign.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_assign.F qs_tddfpt2_assign.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_nmr_utils.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_fb_distribution_methods.F:766:4: + + 766 | SUBROUTINE fb_distribution_move_el(dist_from, element, dist_to) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'fb_distribution_move_el' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_kernel.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_kernel.F xas_tdp_kernel.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_stda_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_assign.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_assign.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_forces.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rt_propagation_forces.F rt_propagation_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_kernel.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:580:64: + + 580 | DO imo = mos(roks_low)%homo + 1, mos(roks_high)%homo + | ^ +Warning: 'roks_high' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:92:67: + + 92 | nrow_global, nset, nsgf, nspins, num_atoms, output_unit, roks_high, roks_low, tot_npgf + | ^~~~~~~~~ +note: 'roks_high' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:575:42: + + 575 | DO imo = 1, mos(roks_low)%homo + | ^ +Warning: 'roks_low' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:92:78: + + 92 | nrow_global, nset, nsgf, nspins, num_atoms, output_unit, roks_high, roks_low, tot_npgf + | ^~~~~~~~ +note: 'roks_low' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:438:19: + + 438 | IF (newl) THEN + | ^ +Warning: 'newl' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:96:73: + + 96 | LOGICAL :: do_kpoints, newl, periodic, unrestricted + | ^~~~ +note: 'newl' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:490:75: + + 490 | pgf_type_chargemol(bcgf_symbol(icgf) (3:)) + | ^ +Warning: 'label' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:867:60: + + 867 | INTEGER FUNCTION pgf_type_chargemol(l_symb) RESULT(label) + | ^ +note: 'label' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:486:75: + + 486 | pgf_type_chargemol(bcgf_symbol(icgf) (3:)) + | ^ +Warning: 'label' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:867:60: + + 867 | INTEGER FUNCTION pgf_type_chargemol(l_symb) RESULT(label) + | ^ +note: 'label' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_scf_csr_write.F:423:67: 423 | CALL dbcsr_convert_dbcsr_to_csr(cmatrix, mat_csr) @@ -56732,77 +56883,7 @@ 338 | rmatrix, rmatrix_nosym, tmatrix | ^~~~~~~ note: 'tmatrix' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:10 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_nmr_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:10 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_assign.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_assign.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:10 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_stda_types.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_fb_distribution_methods.F:766:4: - - 766 | SUBROUTINE fb_distribution_move_el(dist_from, element, dist_to) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'fb_distribution_move_el' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_kernel.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_kernel.F xas_tdp_kernel.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_forces.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rt_propagation_forces.F rt_propagation_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:10 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_kernel.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rt_propagation_forces.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:853:63: - - 853 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) - | ^ -Warning: 'dq' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:831:67: - - 831 | REAL(KIND=dp) :: diff, dq, dt, f, ln_rho_max, ln_rho_min, & - | ^~ -note: 'dq' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:853:63: - - 853 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) - | ^ -Warning: 'ln_rho_max' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:831:78: - - 831 | REAL(KIND=dp) :: diff, dq, dt, f, ln_rho_max, ln_rho_min, & - | ^~~~~~~~~~ -note: 'ln_rho_max' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:853:63: - - 853 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) - | ^ -Warning: 'q' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:832:61: - - 832 | q, rho, t, x, y - | ^ -note: 'q' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:1101:81: - - 1101 | !$OMP SHARED(ln_rho_max,norm_drho_elec,rho_elec,q,rho_max,rho_min,ub) - | ^ -Warning: 'ln_rho_max' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:1078:83: - - 1078 | REAL(KIND=dp) :: diff, e, eps_elec, f, ln_rho_max, & - | ^~~~~~~~~~ -note: 'ln_rho_max' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:1101:81: - - 1101 | !$OMP SHARED(ln_rho_max,norm_drho_elec,rho_elec,q,rho_max,rho_min,ub) - | ^ -Warning: 'q' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_sccs.F:1079:73: - - 1079 | ln_rho_min, q, rho, t, x, y - | ^ -note: 'q' was declared here -/build/reproducible-path/cp2k-2025.1/src/qcschema.F:710:4: - - 710 | SUBROUTINE qcschema_update_fock(qcschema_env, active_space_env) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'qcschema_update_fock' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_hfx_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_hfx_utils.F rt_hfx_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rt_propagation_forces.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_projection_mo_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_projection_mo_utils.F rt_projection_mo_utils.F90 /build/reproducible-path/cp2k-2025.1/src/wannier_states.F:115:61: @@ -56810,11 +56891,30 @@ 115 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cmatrix, smatrix | ^~~~~~~ Warning: 'cmatrix.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_projection_mo_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_projection_mo_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_hfx_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_hfx_utils.F rt_hfx_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_projection_mo_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_projection_mo_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt_types.F qs_tddfpt_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_hfx_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_hfx_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_hfx_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_hfx_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_generate_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_coordinate_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_fields_input.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_fields_input.F force_fields_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'voronoi_interface.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'moments_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_env_methods.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/et_coupling.F:220:23: 220 | W_mat(1, 1) = Wbb @@ -56845,57 +56945,18 @@ 72 | REAL(KIND=dp) :: Sda, strength, Waa, Wbb, Wda | ^~~~~~~~ note: 'strength' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_generate_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_coordinate_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_fields_input.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_fields_input.F force_fields_input.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'voronoi_interface.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'moments_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_electronic_structure.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_env_methods.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_dmfet_potential.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_collocate_density.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_integrate_potential_single.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/qs_mixing_utils.F:332:69: - - 332 | ALLOCATE (mixing_store%cpc_h_old(natom, nspins)) - | ^ -Warning: 'natom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_mixing_utils.F:120:76: - - 120 | max_shell, na, natom, nbuffer, nel, & - | ^~~~~ -note: 'natom' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_mixing_utils.F:198:46: - - 198 | mixing_store%max_shell = max_shell - | ^ -Warning: 'max_shell' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_mixing_utils.F:120:61: - - 120 | max_shell, na, natom, nbuffer, nel, & - | ^~~~~~~~~ -note: 'max_shell' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_output.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_tb_coulomb.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb3_methods.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_input.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dft_plus_u.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dft_plus_u.F dft_plus_u.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_operators_ao.mod' due to: target does not exist @@ -56904,39 +56965,65 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_dm_methods.F admm_dm_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho0_methods.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dft_plus_u.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dft_plus_u.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_core_energies.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ec_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_environment_init.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F:607:13: + + 607 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F:492:88: + + 492 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & + | ^~~~~~~~~~ +note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2025.1/src/qcschema.F:710:4: + + 710 | SUBROUTINE qcschema_update_fock(qcschema_env, active_space_env) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'qcschema_update_fock' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_environment_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_environment_methods.F lri_environment_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_dm_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_core_hamiltonian.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_core_hamiltonian.F qs_core_hamiltonian.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:13 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dft_plus_u.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dft_plus_u.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:13 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_dm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_dm_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1600:73: + + 1600 | nonbonded%pot(start + isec)%pot%set(1)%gal21%met1 = atm_names(1) + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_cnum.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1601:73: + + 1601 | nonbonded%pot(start + isec)%pot%set(1)%gal21%met2 = atm_names(2) + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1510:71: + + 1510 | nonbonded%pot(start + isec)%pot%set(1)%gal%met1 = atm_names(1) + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1511:71: + + 1511 | nonbonded%pot(start + isec)%pot%set(1)%gal%met2 = atm_names(2) + | 1 +Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_d2.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential_product.F:214:10: - - 214 | IF (distributed_grids) THEN - | ^ -Warning: 'distributed_grids' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential_product.F:125:68: - - 125 | LOGICAL :: atom_pair_changed, atom_pair_done, dh_duplicated, distributed_grids, found, & - | ^~~~~~~~~~~~~~~~~ -note: 'distributed_grids' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_environment_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_hamiltonian.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_core_hamiltonian.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_external_density.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_external_potential.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_external_potential.F qs_external_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:13 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_environment_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gcp_method.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc_forces.mod' due to: target does not exist @@ -56945,313 +57032,251 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_communication.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:580:64: - - 580 | DO imo = mos(roks_low)%homo + 1, mos(roks_high)%homo - | ^ -Warning: 'roks_high' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:92:67: - - 92 | nrow_global, nset, nsgf, nspins, num_atoms, output_unit, roks_high, roks_low, tot_npgf - | ^~~~~~~~~ -note: 'roks_high' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:575:42: - - 575 | DO imo = 1, mos(roks_low)%homo - | ^ -Warning: 'roks_low' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:92:78: - - 92 | nrow_global, nset, nsgf, nspins, num_atoms, output_unit, roks_high, roks_low, tot_npgf - | ^~~~~~~~ -note: 'roks_low' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:438:19: - - 438 | IF (newl) THEN - | ^ -Warning: 'newl' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:96:73: - - 96 | LOGICAL :: do_kpoints, newl, periodic, unrestricted - | ^~~~ -note: 'newl' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:490:75: - - 490 | pgf_type_chargemol(bcgf_symbol(icgf) (3:)) - | ^ -Warning: 'label' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:867:60: - - 867 | INTEGER FUNCTION pgf_type_chargemol(l_symb) RESULT(label) - | ^ -note: 'label' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:486:75: +/build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F:327:25: - 486 | pgf_type_chargemol(bcgf_symbol(icgf) (3:)) - | ^ -Warning: 'label' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_chargemol.F:867:60: + 327 | IF (ABS(occ_imo - my_occ) > localized_wfn_control%eps_occ) THEN + | ^ +Warning: 'my_occ' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F:247:61: - 867 | INTEGER FUNCTION pgf_type_chargemol(l_symb) RESULT(label) - | ^ -note: 'label' was declared here + 247 | REAL(KIND=dp) :: my_occ, occ_imo + | ^~~~~~ +note: 'my_occ' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_load_balance_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_screening_methods.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_external_potential.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_pw_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_pw_methods.F hfx_pw_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ri_environment_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ri_environment_methods.F ri_environment_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:13 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_core_hamiltonian.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_core_hamiltonian.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_adiabatic_methods.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_forces.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_pw_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_sccs.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:13 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_external_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_external_potential.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_mixing_utils.F:332:69: + + 332 | ALLOCATE (mixing_store%cpc_h_old(natom, nspins)) + | ^ +Warning: 'natom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_mixing_utils.F:120:76: + + 120 | max_shell, na, natom, nbuffer, nel, & + | ^~~~~ +note: 'natom' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_mixing_utils.F:198:46: + + 198 | mixing_store%max_shell = max_shell + | ^ +Warning: 'max_shell' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_mixing_utils.F:120:61: + + 120 | max_shell, na, natom, nbuffer, nel, & + | ^~~~~~~~~ +note: 'max_shell' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_qmmm_methods.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ri_environment_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix_exchange.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:13 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_pw_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_pw_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_matrix_w.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'surface_dipole.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:13 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ri_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ri_environment_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_core_core.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_core_matrix.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_core_matrix.F se_core_matrix.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_hcore.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/mp2_grids.F:462:10: + + 462 | IF (ABS(left_term + right_term) >= conv_param) THEN + | ^ +Warning: 'left_term' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_grids.F:401:80: + + 401 | REAL(KIND=dp) :: a_high, a_low, a_scaling, conv_param, eps, first_deriv, left_term, & + | ^~~~~~~~~ +note: 'left_term' declared here +/build/reproducible-path/cp2k-2025.1/src/mp2_grids.F:463:13: + + 463 | IF (a_scaling >= 2*num_integ_points*step) THEN + | ^ +Warning: 'a_scaling' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_grids.F:401:39: + + 401 | REAL(KIND=dp) :: a_high, a_low, a_scaling, conv_param, eps, first_deriv, left_term, & + | ^~~~~~~~~ +note: 'a_scaling' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_potentials.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F xtb_potentials.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_env_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_print_dft.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential_product.F:214:10: + + 214 | IF (distributed_grids) THEN + | ^ +Warning: 'distributed_grids' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential_product.F:125:68: + + 125 | LOGICAL :: atom_pair_changed, atom_pair_done, dh_duplicated, distributed_grids, found, & + | ^~~~~~~~~~~~~~~~~ +note: 'distributed_grids' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_basis_rotation_methods.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_core_matrix.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gcp_utils.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:13 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_core_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_core_matrix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_potentials.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_potentials.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_elec_field.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_elec_field.F qs_elec_field.F90 -/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1600:73: - - 1600 | nonbonded%pot(start + isec)%pot%set(1)%gal21%met1 = atm_names(1) - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1601:73: - - 1601 | nonbonded%pot(start + isec)%pot%set(1)%gal21%met2 = atm_names(2) - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1510:71: - - 1510 | nonbonded%pot(start + isec)%pot%set(1)%gal%met1 = atm_names(1) - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1511:71: - - 1511 | nonbonded%pot(start + isec)%pot%set(1)%gal%met2 = atm_names(2) - | 1 -Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fermi_contact.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fermi_contact.F qs_fermi_contact.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F:607:13: - - 607 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F:492:88: - - 492 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & - | ^~~~~~~~~~ -note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:685:108: - - 685 | mixing_store%res_buffer(ib, ispin)%cc(ig) = res_rho(ig) - mixing_store%last_res(ispin)%cc(ig) - | ^ -Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:565:79: - - 565 | INTEGER :: handle, i, iatom, ib, ig, ispin, j, jb, & - | ^~ -note: 'ib' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_spin_orbit.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_spin_orbit.F qs_spin_orbit.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_diis.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:13 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_potentials.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_potentials.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_block_davidson.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_block_davidson.F qs_scf_block_davidson.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_potentials.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elec_field.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_elec_field.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fermi_contact.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_spin_orbit.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_linpot_full.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elec_field.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_elec_field.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_block_davidson.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_block_davidson.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_ml_descriptor.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_ml_descriptor.F pao_ml_descriptor.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fermi_contact.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fermi_contact.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_model.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_spin_orbit.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_spin_orbit.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_nonscf_utils.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:685:108: + + 685 | mixing_store%res_buffer(ib, ispin)%cc(ig) = res_rho(ig) - mixing_store%last_res(ispin)%cc(ig) + | ^ +Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:565:79: + + 565 | INTEGER :: handle, i, iatom, ib, ig, ispin, j, jb, & + | ^~ +note: 'ib' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'min_basis_set.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'population_analyses.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/population_analyses.F population_analyses.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_chargemol.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dos.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_descriptor.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml_descriptor.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_elf_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_elf_methods.F qs_elf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_block_davidson.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_block_davidson.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_energy_window.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_energy_window.F qs_energy_window.F90 -/build/reproducible-path/cp2k-2025.1/src/mp2_grids.F:462:10: - - 462 | IF (ABS(left_term + right_term) >= conv_param) THEN - | ^ -Warning: 'left_term' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_grids.F:401:80: - - 401 | REAL(KIND=dp) :: a_high, a_low, a_scaling, conv_param, eps, first_deriv, left_term, & - | ^~~~~~~~~ -note: 'left_term' declared here -/build/reproducible-path/cp2k-2025.1/src/mp2_grids.F:463:13: - - 463 | IF (a_scaling >= 2*num_integ_points*step) THEN - | ^ -Warning: 'a_scaling' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_grids.F:401:39: - - 401 | REAL(KIND=dp) :: a_high, a_low, a_scaling, conv_param, eps, first_deriv, left_term, & - | ^~~~~~~~~ -note: 'a_scaling' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml_descriptor.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml_descriptor.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_elf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"population_analyses.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' population_analyses.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_window.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_window.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_epr_hyp.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_dipole.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_dipole.F qs_loc_dipole.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_dipole.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_dipole.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"population_analyses.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' population_analyses.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_elf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_elf_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecular_dipoles.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/molecular_dipoles.F molecular_dipoles.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_dipoles.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molecular_dipoles.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F:327:25: - - 327 | IF (ABS(occ_imo - my_occ) > localized_wfn_control%eps_occ) THEN - | ^ -Warning: 'my_occ' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_loc_utils.F:247:61: - - 247 | REAL(KIND=dp) :: my_occ, occ_imo - | ^~~~~~ -note: 'my_occ' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecular_states.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/molecular_states.F molecular_states.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_dipole.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_dipole.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'wannier_states.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/qs_spin_orbit.F:195:13: - - 195 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_spin_orbit.F:82:10: - - 82 | last_jatom, ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, & - | ^~~~~~~~~~ -note: 'last_jatom' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_window.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_window.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_resp.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_resp.F qs_resp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molecular_states.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_energy_window.F:136:15: - - 136 | stride = section_get_ivals(dft_section, "PRINT%ENERGY_WINDOWS%STRIDE") - | 1 -Warning: POINTER-valued function appears on right-hand side of assignment at (1) [-Wsurprising] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:17 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_resp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_resp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_csr_write.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_dipoles.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molecular_dipoles.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_distribution_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_env_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fb_env_methods.F qs_fb_env_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'stm_images.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/stm_images.F stm_images.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:17 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:17 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"stm_images.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' stm_images.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_elec_field.F:198:13: - - 198 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_elec_field.F:83:10: - - 83 | last_jatom, ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, & - | ^~~~~~~~~~ -note: 'last_jatom' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'trexio_utils.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molecular_states.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ec_external.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ec_external.F ec_external.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fb_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fb_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_resp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_resp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_hab_force.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_hab_force.F xtb_hab_force.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'basis_set_output.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_coulomb_2c.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"stm_images.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' stm_images.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_iterative.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_iterative.F bse_iterative.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_grids.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_hab_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_hab_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_external.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_external.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qcschema.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'et_coupling.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'et_coupling_proj.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/et_coupling_proj.F et_coupling_proj.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:18 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_hab_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_hab_force.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'soc_pseudopotential_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_cdft_scf_utils.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_iterative.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_iterative.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_epr_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_nmr_utils.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:18 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_iterative.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_iterative.F90 -/build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F:713:89: - - 713 | dedf = fval*evalfd(pot%set(kk)%gp%myid, 1, pot%set(kk)%gp%values, dx, err) - | ^ -Warning: 'fval' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F:645:95: - - 645 | REAL(KIND=dp) :: dedf, dr, dx, energy_cutoff, err, fval, & - | ^~~~ -note: 'fval' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_stda_types.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_proj.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' et_coupling_proj.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_assign.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:18 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_external.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_external.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_kernel.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_forces.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_hfx_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_projection_mo_utils.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt_types.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:18 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"et_coupling_proj.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' et_coupling_proj.F90 +/build/reproducible-path/cp2k-2025.1/src/lri_environment_methods.F:481:4: + + 481 | SUBROUTINE calculate_lri_overlap_aabb(lri_env, qs_env) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'calculate_lri_overlap_aabb' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'library_tests.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/library_tests.F library_tests.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmmx_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmmx_types.F qmmmx_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_amber.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_amber.F topology_amber.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"library_tests.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' library_tests.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_efield_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_efield_methods.F fist_efield_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dkh_main.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_neighbor_lists.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_coulomb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_coulomb.F qs_dftb_coulomb.F90 /build/reproducible-path/cp2k-2025.1/src/qs_fermi_contact.F:195:13: 195 | IF (jatom /= last_jatom) THEN @@ -57262,40 +57287,36 @@ 83 | last_jatom, ldai, ldfc, maxco, maxlgto, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, & | ^~~~~~~~~~ note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_amber.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_amber.F topology_amber.F90 -/build/reproducible-path/cp2k-2025.1/src/lri_environment_methods.F:481:4: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_coulomb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_coulomb.F xtb_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_efield_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_coulomb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_amber.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_amber.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_energy_window.F:136:15: - 481 | SUBROUTINE calculate_lri_overlap_aabb(lri_env, qs_env) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'calculate_lri_overlap_aabb' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:18 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:18 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_amber.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_amber.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_efield_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_efield_methods.F fist_efield_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dkh_main.mod' due to: target does not exist + 136 | stride = section_get_ivals(dft_section, "PRINT%ENERGY_WINDOWS%STRIDE") + | 1 +Warning: POINTER-valued function appears on right-hand side of assignment at (1) [-Wsurprising] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:39 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_coulomb.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_integrate_potential_product.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/qs_scf_block_davidson.F:884:43: - - 884 | i_first = inotconv_set(j, 1) - | ^ -Warning: 'inotconv_set.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_scf_block_davidson.F:487:72: - - 487 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set - | ^~~~~~~~~~~~ -note: 'inotconv_set.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_scf_block_davidson.F:885:42: +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho_atom_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kg_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kg_environment.F kg_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_d3.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d3.F qs_dispersion_d3.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_spin_orbit.F:195:13: - 885 | i_last = inotconv_set(j, 2) - | ^ -Warning: 'inotconv_set.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_scf_block_davidson.F:487:72: + 195 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_spin_orbit.F:82:10: - 487 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set - | ^~~~~~~~~~~~ -note: 'inotconv_set.offset' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:18 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_efield_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_efield_methods.F90 + 82 | last_jatom, ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, & + | ^~~~~~~~~~ +note: 'last_jatom' was declared here /build/reproducible-path/cp2k-2025.1/src/pao_ml_descriptor.F:111:61: 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs @@ -57312,41 +57333,20 @@ | ^~~~~~~ note: 'block_m.dim[0].ubound' was declared here /build/reproducible-path/cp2k-2025.1/src/pao_ml_descriptor.F:111:61: Warning: 'block_m.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_neighbor_lists.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_coulomb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_coulomb.F qs_dftb_coulomb.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_coulomb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_coulomb.F xtb_coulomb.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_integrate_potential_product.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho_atom_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kg_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kg_environment.F kg_environment.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_d3.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d3.F qs_dispersion_d3.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_coulomb.F90 -/build/reproducible-path/cp2k-2025.1/src/ri_environment_methods.F:632:23: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_d3.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_d3.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_environment.F90 +/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1335:20: - 632 | IF (symm .AND. (iatom /= jatom)) THEN - | ^ -Warning: 'symm' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/ri_environment_methods.F:598:61: + 1335 | CPASSERT(np1 - 1 <= 10) + | ^ +Warning: 'np1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1184:90: - 598 | LOGICAL :: symm - | ^~~~ -note: 'symm' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_coulomb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_coulomb.F90 + 1184 | INTEGER :: i, ir, isec, n_items, n_rep, np1, np2 + | ^~~ +note: 'np1' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eeq_method.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eeq_method.F eeq_method.F90 -/build/reproducible-path/cp2k-2025.1/src/bse_iterative.F:995:4: - - 995 | SUBROUTINE compute_BZ(BZ, Z_vectors, B_iaQ_bse_local, B_bar_iaQ_bse_local, & - | ^~~~~~~~~~~~~~~~~~~~~ -Warning: 'compute_bz' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_d3.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_d3.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_environment.F90 /build/reproducible-path/cp2k-2025.1/src/se_core_matrix.F:424:4: 424 | SUBROUTINE makeS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, S) @@ -57357,116 +57357,58 @@ 800 | SUBROUTINE makedS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, dS) | ^~~~~~~~~~~~~~~~~ Warning: 'makeds' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_external_potential.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eeq_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eeq_method.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_ddapc_util.F cp_ddapc_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_derivatives.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_derivatives.F hfx_derivatives.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_energy_potential.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_energy_potential.F hfx_energy_potential.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_pw_methods.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:20 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_energy_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_energy_potential.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tensors.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tensors.F qs_tensors.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_derivatives.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_derivatives.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_forces.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot.F qs_ot.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix_coulomb.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F:316:44: +/build/reproducible-path/cp2k-2025.1/src/qs_scf_block_davidson.F:884:43: - 316 | fdik = fdika + fdikb - | ^ -Warning: 'fdikb' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F:225:74: + 884 | i_first = inotconv_set(j, 1) + | ^ +Warning: 'inotconv_set.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_scf_block_davidson.F:487:72: - 225 | REAL(KIND=dp), DIMENSION(3) :: fdik, fdika, fdikb, force_rr, rij, rik - | ^~~~~ -note: 'fdikb' declared here -/build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F:316:44: + 487 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set + | ^~~~~~~~~~~~ +note: 'inotconv_set.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_scf_block_davidson.F:885:42: - 316 | fdik = fdika + fdikb - | ^ -Warning: 'fdikb' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F:225:74: + 885 | i_last = inotconv_set(j, 2) + | ^ +Warning: 'inotconv_set.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_scf_block_davidson.F:487:72: - 225 | REAL(KIND=dp), DIMENSION(3) :: fdik, fdika, fdikb, force_rr, rij, rik - | ^~~~~ -note: 'fdikb' declared here -/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1335:20: + 487 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set + | ^~~~~~~~~~~~ +note: 'inotconv_set.offset' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_ddapc_util.F cp_ddapc_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eeq_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eeq_method.F90 +/build/reproducible-path/cp2k-2025.1/src/ri_environment_methods.F:632:23: - 1335 | CPASSERT(np1 - 1 <= 10) - | ^ -Warning: 'np1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1184:90: + 632 | IF (symm .AND. (iatom /= jatom)) THEN + | ^ +Warning: 'symm' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/ri_environment_methods.F:598:61: - 1184 | INTEGER :: i, ir, isec, n_items, n_rep, np1, np2 - | ^~~ -note: 'np1' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'smeagol_interface.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/smeagol_interface.F smeagol_interface.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_xas.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_xas.F input_cp2k_xas.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:20 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:20 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tensors.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mixing_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_elec_field.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fermi_contact.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_spin_orbit.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mao_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'population_analyses.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:20 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:20 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xas.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_xas.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_chargemol.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_elf_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_energy_window.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_dipole.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecular_dipoles.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xray_diffraction.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_grids.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_integrals.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kernel_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kernel_types.F qs_kernel_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_integrals.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_integrals.F xas_tdp_integrals.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_kernel.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optbas_opt_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optbas_opt_utils.F optbas_opt_utils.F90 -/build/reproducible-path/cp2k-2025.1/src/bse_iterative.F:1277:85: + 598 | LOGICAL :: symm + | ^~~~ +note: 'symm' was declared here +/build/reproducible-path/cp2k-2025.1/src/bse_iterative.F:995:4: - 1277 | B_iaQ_bse_local(i_occ, a_virt, LLL) - | ^ -Warning: 'alpha' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/bse_iterative.F:1238:61: + 995 | SUBROUTINE compute_BZ(BZ, Z_vectors, B_iaQ_bse_local, B_bar_iaQ_bse_local, & + | ^~~~~~~~~~~~~~~~~~~~~ +Warning: 'compute_bz' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_derivatives.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_derivatives.F hfx_derivatives.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc_util.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_elec_field.F:198:13: - 1238 | REAL(KIND=dp) :: alpha - | ^~~~~ -note: 'alpha' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'library_tests.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/library_tests.F library_tests.F90 + 198 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_elec_field.F:83:10: + + 83 | last_jatom, ldai, maxco, maxlgto, maxsgf, natom, ncoa, ncob, neighbor_list_id, nkind, & + | ^~~~~~~~~~ +note: 'last_jatom' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_derivatives.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_derivatives.F90 /build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:1268:116: 1268 | habc_uncontr_d(icoz, jco, kco)] @@ -57612,8 +57554,6 @@ 1280 | habc_uncontr_d(ico, jco, kcoz)] | ^ Warning: 'habdc_uncontr.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmmx_types.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:1115:74: 1115 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: habdc_contr, habdc_uncontr, hadbc_contr, & @@ -57869,58 +57809,181 @@ 1115 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: habdc_contr, habdc_uncontr, hadbc_contr, & | ^~~~~~~~~~~ note: 'habdc_contr.dim[3].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F:713:89: + + 713 | dedf = fval*evalfd(pot%set(kk)%gp%myid, 1, pot%set(kk)%gp%values, dx, err) + | ^ +Warning: 'fval' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F:645:95: + + 645 | REAL(KIND=dp) :: dedf, dr, dx, energy_cutoff, err, fval, & + | ^~~~ +note: 'fval' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_energy_potential.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_energy_potential.F hfx_energy_potential.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_pw_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tensors.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tensors.F qs_tensors.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot.F qs_ot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tensors.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tensors.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix_coulomb.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_energy_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_energy_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'smeagol_interface.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/smeagol_interface.F smeagol_interface.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_xas.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_xas.F input_cp2k_xas.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mixing_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_elec_field.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fermi_contact.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"smeagol_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' smeagol_interface.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_spin_orbit.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/ec_external.F:621:4: + + 621 | SUBROUTINE matrix_w_forces(qs_env, matrix_w, unit_nr) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'matrix_w_forces' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mao_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_elf_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_dipole.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_xas.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_xas.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecular_dipoles.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xray_diffraction.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_integrals.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kernel_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kernel_types.F qs_kernel_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_integrals.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_integrals.F xas_tdp_integrals.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_projection_mo_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/bse_iterative.F:1277:85: + + 1277 | B_iaQ_bse_local(i_occ, a_virt, LLL) + | ^ +Warning: 'alpha' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/bse_iterative.F:1238:61: + + 1238 | REAL(KIND=dp) :: alpha + | ^~~~~ +note: 'alpha' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optbas_opt_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optbas_opt_utils.F optbas_opt_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kernel_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmmx_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_operators.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_operators.F atom_operators.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optbas_opt_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_operators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_operators.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_dm_methods.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kernel_types.F90 +/build/reproducible-path/cp2k-2025.1/src/library_tests.F:915:21: + + 915 | ELSE IF (is_fullspace) THEN + | ^ +Warning: 'is_fullspace' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/library_tests.F:822:68: + + 822 | LOGICAL :: debug, is_fullspace, odd, & + | ^~~~~~~~~~~~ +note: 'is_fullspace' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_integrate_potential.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_integrate_potential.F qs_integrate_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optbas_opt_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_integrals.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_external_potential.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_fock_matrix_dbg.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_fock_matrix_dbg.F se_fock_matrix_dbg.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"library_tests.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' library_tests.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_core_matrix.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_operators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_operators.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_potentials.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_block_davidson.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integrate_potential.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_ml_descriptor.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_linpot_rotinv.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_dbg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_dbg.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mao_optimizer.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mao_optimizer.F mao_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_integrate_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_integrate_potential.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix_dbg.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix_dbg.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_energy_window.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'stm_images.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_env_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_env_types.F force_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_optimizer.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_efield_methods.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_env_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gspace_mixing.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_core_hamiltonian.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ri_environment_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecular_states.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_block_davidson.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/ec_external.F:621:4: - - 621 | SUBROUTINE matrix_w_forces(qs_env, matrix_w, unit_nr) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'matrix_w_forces' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'stm_images.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_ml_descriptor.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_force.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_force.F fist_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:22 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_force.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_ks_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_ks_methods.F lri_ks_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:22 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_ks_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gspace_mixing.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'population_analyses.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_linpot_rotinv.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F:316:44: + + 316 | fdik = fdika + fdikb + | ^ +Warning: 'fdikb' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F:225:74: + + 225 | REAL(KIND=dp), DIMENSION(3) :: fdik, fdika, fdikb, force_rr, rij, rik + | ^~~~~ +note: 'fdikb' declared here +/build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F:316:44: + + 316 | fdik = fdika + fdikb + | ^ +Warning: 'fdikb' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xtb_potentials.F:225:74: + + 225 | REAL(KIND=dp), DIMENSION(3) :: fdik, fdika, fdikb, force_rr, rij, rik + | ^~~~~ +note: 'fdikb' declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_env_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kernel_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_ks_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1649:4: + + 1649 | SUBROUTINE eeq_dfield_pot(charges, dft_control, particle_set, cell, efr) + | ^~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'eeq_dfield_pot' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecular_states.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:1505:38: + + 1505 | END FUNCTION convert_potential_type + | ^ +Warning: 'res' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:1493:62: + + 1493 | FUNCTION convert_potential_type(potential_type) RESULT(res) + | ^ +note: 'res' was declared here /build/reproducible-path/cp2k-2025.1/src/topology_amber.F:596:34: 596 | ib(:) = ib(:)/3 + 1 @@ -58131,42 +58194,19 @@ 393 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: asol, bsol, cn1, cn2, phase, pk, pn, & | ^~ note: 'pn.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_core_hamiltonian.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_potentials.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_integrate_potential.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho0_ggrid.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho0_ggrid.F qs_rho0_ggrid.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:849:16: - - 849 | IF (dist(i) > rmax - delta) not_in_range(i, 2) = .TRUE. - | ^ -Warning: 'rmax' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:767:90: - - 767 | REAL(KIND=dp) :: delta, dh(3, 3), dvol, r(3), rmax, rmin, & - | ^~~~ -note: 'rmax' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:848:16: - - 848 | IF (dist(i) < rmin + delta) not_in_range(i, 1) = .TRUE. - | ^ -Warning: 'rmin' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:767:96: - - 767 | REAL(KIND=dp) :: delta, dh(3, 3), dvol, r(3), rmax, rmin, & - | ^~~~ -note: 'rmin' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_image_charge.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_image_charge.F qmmm_image_charge.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_eri_gpw.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_eri_gpw.F mp2_eri_gpw.F90 -/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1649:4: - - 1649 | SUBROUTINE eeq_dfield_pot(charges, dft_control, particle_set, cell, efr) - | ^~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'eeq_dfield_pot' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_ggrid.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho0_ggrid.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_image_charge.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_image_charge.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_eri_gpw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho0_ggrid.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho0_ggrid.F90 /build/reproducible-path/cp2k-2025.1/src/bse_iterative.F:1179:96: 1179 | A_full(i, a, j, b) = eigen_diff + 2*v_iajb(i, a, j, b) - W_ijab(i, j, a, b) @@ -58218,30 +58258,44 @@ 1079 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: A_full_reshaped | ^~~~~~~~~~~~~~~ note: 'a_full_reshaped.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:849:16: + + 849 | IF (dist(i) > rmax - delta) not_in_range(i, 2) = .TRUE. + | ^ +Warning: 'rmax' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:767:90: + + 767 | REAL(KIND=dp) :: delta, dh(3, 3), dvol, r(3), rmax, rmin, & + | ^~~~ +note: 'rmax' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:848:16: + + 848 | IF (dist(i) < rmin + delta) not_in_range(i, 1) = .TRUE. + | ^ +Warning: 'rmin' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:767:96: + + 767 | REAL(KIND=dp) :: delta, dh(3, 3), dvol, r(3), rmax, rmin, & + | ^~~~ +note: 'rmin' was declared here +/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1338:82: + + 1338 | grc1 = gam(ikind) + 2.0_dp*gab(ikind, ikind)*oorootpi - ad + | ^ +Warning: 'ikind' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1259:61: + + 1259 | ikind, ir, iunit, ix, iy, iz, jkind, & + | ^~~~~ +note: 'ikind' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_xas.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_eri_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_eri_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_image_charge.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_image_charge.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_dft.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_dft.F input_cp2k_dft.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kernel_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix_dbg.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_dft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_dft.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_fock_matrix.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_fock_matrix.F se_fock_matrix.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mao_optimizer.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mao_wfn_analysis.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mao_wfn_analysis.F mao_wfn_analysis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mao_basis.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mao_basis.F mao_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_wfn_analysis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_environment.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields_input.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ec_external.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_dft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_dft.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_coulomb.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1132:22: @@ -58293,44 +58347,40 @@ 1030 | REAL(KIND=dp) :: delta, dh(3, 3), r(3), rmax, rmin, & | ^~~~ note: 'rmin' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields_input.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_basis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_psf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_psf.F topology_psf.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_init.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_init.F qmmm_init.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot_minimizer.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot_minimizer.F qs_ot_minimizer.F90 -/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1338:82: +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix_dbg.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/xtb_coulomb.F:315:13: - 1338 | grc1 = gam(ikind) + 2.0_dp*gab(ikind, ikind)*oorootpi - ad - | ^ -Warning: 'ikind' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1259:61: + 315 | IF (do_ewald) THEN + | ^ +Warning: 'do_ewald' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xtb_coulomb.F:122:70: - 1259 | ikind, ir, iunit, ix, iy, iz, jkind, & - | ^~~~~ -note: 'ikind' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:24 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_psf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_psf.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_env_methods.mod' due to: target does not exist + 122 | LOGICAL :: defined, do_ewald, do_gamma_stress, & + | ^~~~~~~~ +note: 'do_ewald' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mao_optimizer.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:24 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:24 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_minimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_minimizer.F90 -/build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:1505:38: +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ec_external.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_init.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_init.F qmmm_init.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_psf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_psf.F topology_psf.F90 +/build/reproducible-path/cp2k-2025.1/src/mp2_ri_gpw.F:652:28: - 1505 | END FUNCTION convert_potential_type - | ^ -Warning: 'res' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:1493:62: + 652 | DEALLOCATE (B_ia_Q) + | ^ +Warning: 'b_ia_q.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_ri_gpw.F:119:61: - 1493 | FUNCTION convert_potential_type(potential_type) RESULT(res) - | ^ -note: 'res' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optbas_opt_utils.mod' due to: target does not exist -true + 119 | DIMENSION(:) :: B_ia_Q + | ^~~~~~ +note: 'b_ia_q.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot_minimizer.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot_minimizer.F qs_ot_minimizer.F90 /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d3.F:403:33: 403 | e6tot = e6tot - e6 @@ -58391,6 +58441,23 @@ 89 | INTEGER :: atom_a, atom_b, atom_c, atom_d, handle, hashb, hashc, i, ia, iat, iatom, icx, & | ^~~~~~ note: 'atom_b' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'se_fock_matrix.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/se_fock_matrix.F se_fock_matrix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_psf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_psf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_minimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_minimizer.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mao_wfn_analysis.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mao_wfn_analysis.F mao_wfn_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_init.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mao_basis.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mao_basis.F mao_basis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_env_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_hab_force.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optbas_opt_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_environment.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/force_env_types.F:736:45: 736 | i_force_eval(1) = main_force_eval @@ -58401,60 +58468,20 @@ 716 | INTEGER :: iforce_eval, main_force_eval | ^~~~~~~~~~~~~~~ note: 'main_force_eval' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_hab_force.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_wfn_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"se_fock_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' se_fock_matrix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mao_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mao_basis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'library_tests.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/mp2_ri_gpw.F:652:28: - - 652 | DEALLOCATE (B_ia_Q) - | ^ -Warning: 'b_ia_q.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_ri_gpw.F:119:61: - - 119 | DIMENSION(:) :: B_ia_Q - | ^~~~~~ -note: 'b_ia_q.dim[0].ubound' was declared here /build/reproducible-path/cp2k-2025.1/src/topology_psf.F:780:81: 780 | extension=".psf", my_local=.FALSE.) | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_env_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'smeagol_interface.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dft_plus_u.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cell_opt_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cell_opt_types.F cell_opt_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_fxd.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F constraint_fxd.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'motion_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion_utils.F motion_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'neb_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/neb_types.F neb_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/environment.F environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cell_opt_types.F90 -/build/reproducible-path/cp2k-2025.1/src/library_tests.F:915:21: - - 915 | ELSE IF (is_fullspace) THEN - | ^ -Warning: 'is_fullspace' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/library_tests.F:822:68: - - 822 | LOGICAL :: debug, is_fullspace, odd, & - | ^~~~~~~~~~~~ -note: 'is_fullspace' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_fxd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_fxd.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_vsite.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_vsite.F constraint_vsite.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' motion_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_vsite.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_vsite.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'external_potential_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/external_potential_methods.F external_potential_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/input_cp2k_dft.F:1255:4: - - 1255 | SUBROUTINE create_rigpw_section(section) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'create_rigpw_section' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1201:10: 1201 | IF (res > eps_diis) ierror = 1 @@ -58485,153 +58512,76 @@ 1013 | REAL(KIND=dp) :: ad, alpha, astep, deth, dr, eeqn, & | ^~ note: 'dr' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_env_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_amber.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/environment.F environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_fields_ext.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_fields_ext.F force_fields_ext.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_vsite.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_vsite.F constraint_vsite.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'external_potential_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/external_potential_methods.F external_potential_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'grrm_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/grrm_utils.F grrm_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:25 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"external_potential_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' external_potential_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_cdft_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_utils.F mixed_cdft_utils.F90 -/build/reproducible-path/cp2k-2025.1/src/xtb_coulomb.F:315:13: - - 315 | IF (do_ewald) THEN - | ^ -Warning: 'do_ewald' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xtb_coulomb.F:122:70: - - 122 | LOGICAL :: defined, do_ewald, do_gamma_stress, & - | ^~~~~~~~ -note: 'do_ewald' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optimize_embedding_potential.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optimize_embedding_potential.F optimize_embedding_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grrm_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' grrm_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_cdft_utils.F90 +/build/reproducible-path/cp2k-2025.1/src/input_cp2k_dft.F:1255:4: + + 1255 | SUBROUTINE create_rigpw_section(section) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'create_rigpw_section' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_util.F qmmm_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dft_plus_u.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_ks_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'smeagol_interface.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_resp.mod' due to: target does not exist -true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'motion_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion_utils.F motion_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_iterative.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'et_coupling_proj.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_embedding_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_embedding_potential.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'scine_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/scine_utils.F scine_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_ext.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_ext.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_vsite.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_vsite.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"external_potential_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' external_potential_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"grrm_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' grrm_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_cdft_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'metadynamics_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadynamics_utils.F metadynamics_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_restart_force_eval.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_restart_force_eval.F input_restart_force_eval.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermal_region_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermal_region_utils.F thermal_region_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cell_opt_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cell_opt_types.F cell_opt_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_embedding_potential.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_embedding_potential.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'neb_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/neb_types.F neb_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' motion_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_restart_force_eval.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_restart_force_eval.F input_restart_force_eval.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scine_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' scine_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' thermal_region_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cell_opt_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' metadynamics_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_force_eval.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_restart_force_eval.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_types.F mc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"scine_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' scine_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' metadynamics_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_restart_force_eval.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_restart_force_eval.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermal_region_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' thermal_region_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_amber.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_coulomb.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_environment_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_d3.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mao_basis.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_optimize_ri_basis.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_optimize_ri_basis.F lri_optimize_ri_basis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_fields_ext.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_fields_ext.F force_fields_ext.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_optimize_ri_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields_ext.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields_ext.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minbas_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minbas_methods.F minbas_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_opt_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'neb_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_ddapc.F cp_ddapc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'neb_md_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/neb_md_utils.F neb_md_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:28 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' minbas_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:143:78: - - 143 | force(:, iparticle) = core_particle_set(shell_index)%f(:) - | ^ -Warning: 'core_particle_set.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:84:61: - - 84 | TYPE(particle_type), DIMENSION(:), POINTER :: core_particle_set, particle_set, & - | ^~~~~~~~~~~~~~~~~ -note: 'core_particle_set.data' was declared here -/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:143:78: - - 143 | force(:, iparticle) = core_particle_set(shell_index)%f(:) - | ^ -Warning: 'core_particle_set.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:84:61: - - 84 | TYPE(particle_type), DIMENSION(:), POINTER :: core_particle_set, particle_set, & - | ^~~~~~~~~~~~~~~~~ -note: 'core_particle_set.offset' was declared here -/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:143:78: - - 143 | force(:, iparticle) = core_particle_set(shell_index)%f(:) - | ^ -Warning: 'core_particle_set.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:84:61: - - 84 | TYPE(particle_type), DIMENSION(:), POINTER :: core_particle_set, particle_set, & - | ^~~~~~~~~~~~~~~~~ -note: 'core_particle_set.dim[0].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:144:89: - - 144 | force(:, natom + shell_index) = shell_particle_set(shell_index)%f(:) - | ^ -Warning: 'shell_particle_set.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:85:61: - - 85 | shell_particle_set - | ^~~~~~~~~~~~~~~~~~ -note: 'shell_particle_set.data' was declared here -/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:144:89: - - 144 | force(:, natom + shell_index) = shell_particle_set(shell_index)%f(:) - | ^ -Warning: 'shell_particle_set.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:85:61: - - 85 | shell_particle_set - | ^~~~~~~~~~~~~~~~~~ -note: 'shell_particle_set.offset' was declared here -/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:144:89: +/build/reproducible-path/cp2k-2025.1/src/xas_tdp_integrals.F:485:76: - 144 | force(:, natom + shell_index) = shell_particle_set(shell_index)%f(:) - | ^ -Warning: 'shell_particle_set.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:85:61: + 485 | !$OMP ncob,ncoc,sgfb,sgfc,egfb,egfc,sabc_ext,cpp_buffer,ccp_buffer) + | ^ +Warning: 'my_eps_screen' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xas_tdp_integrals.F:298:76: - 85 | shell_particle_set - | ^~~~~~~~~~~~~~~~~~ -note: 'shell_particle_set.dim[0].stride' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:28 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_md_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_md_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:28 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gopt_f_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/gopt_f_types.F gopt_f_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_vsite.mod' due to: target does not exist -true + 298 | REAL(dp) :: dij, dik, djk, my_eps_screen, ri(3), & + | ^~~~~~~~~~~~~ +note: 'my_eps_screen' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_fxd.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F constraint_fxd.F90 /build/reproducible-path/cp2k-2025.1/src/hfx_derivatives.F:1227:28: 1227 | IF (screen_pmat_forces) THEN @@ -58852,13 +58802,76 @@ 168 | rb(3), rc(3), rcd2, rd(3), spherical_estimate, spherical_estimate_virial, symm_fac, & | ^~~~~~~~~~~~~~~~~~~~~~~~~ note: 'spherical_estimate_virial' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_d3.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc_util.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_fxd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_fxd.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_ks_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_resp.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'et_coupling_proj.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_ddapc.F cp_ddapc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_environment_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'lri_optimize_ri_basis.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/lri_optimize_ri_basis.F lri_optimize_ri_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_ddapc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_ddapc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_coulomb.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'se_fock_matrix.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_ehess.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_ehess.F xtb_ehess.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_ehess_force.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_ehess_force.F xtb_ehess_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"lri_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' lri_optimize_ri_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_ehess.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_ehess_force.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'efield_tb_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/efield_tb_methods.F efield_tb_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_eri_gpw.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_ri_gpw.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_gpw_method.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F mp2_gpw_method.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' efield_tb_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mao_basis.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minbas_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minbas_methods.F minbas_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'neb_types.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_gpw_method.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'external_potential_methods.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:28 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_f_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_psf.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'neb_md_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/neb_md_utils.F neb_md_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' minbas_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_md_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_md_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermal_region_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'grrm_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho0_ggrid.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_force.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gapw_densities.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gapw_densities.F qs_gapw_densities.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_subgroups.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_subgroups.F qs_tddfpt2_subgroups.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_dft.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_properties_dft.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_properties_dft.F input_cp2k_properties_dft.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gapw_densities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gapw_densities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_subgroups.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_subgroups.F90 /build/reproducible-path/cp2k-2025.1/src/eeq_method.F:261:37: 261 | chia(iatom) = xi - kappa*scn @@ -58869,68 +58882,164 @@ 194 | lambda, scn, sgamma, totalcharge, xi | ^~~ note: 'scn' was declared here -/build/reproducible-path/cp2k-2025.1/src/xas_tdp_integrals.F:485:76: - - 485 | !$OMP ncob,ncoc,sgfb,sgfc,egfb,egfc,sabc_ext,cpp_buffer,ccp_buffer) - | ^ -Warning: 'my_eps_screen' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xas_tdp_integrals.F:298:76: - - 298 | REAL(dp) :: dij, dik, djk, my_eps_screen, ri(3), & - | ^~~~~~~~~~~~~ -note: 'my_eps_screen' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_properties_dft.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_properties_dft.F input_cp2k_properties_dft.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_eri_gpw.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields_ext.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_properties_dft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_properties_dft.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_fxd.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_fields.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_fields.F force_fields.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:16:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_properties_dft.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_properties_dft.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_opt_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_gpw_method.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F mp2_gpw_method.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'colvar_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/colvar_methods.F colvar_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_3x3.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_3x3.F constraint_3x3.F90 /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_utils.F:975:69: 975 | mixed_cdft%sub_logger(i)%p%iter_info%project_name = c_val | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_4x6.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_4x6.F constraint_4x6.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'grrm_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gopt_f_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/gopt_f_types.F gopt_f_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_psf.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_vsite.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_f_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eeq_method.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_d4.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F qs_dispersion_d4.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_eeq.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_eeq.F xtb_eeq.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'motion_utils.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_gpw_method.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_d4.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_d4.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_eeq.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_eeq.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermostat_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_utils.F thermostat_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_ri_gpw.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/motion/neb_md_utils.F:119:47: + + 119 | temp = 2.0_dp*akin/REAL(nvar, KIND=dp) + | ^ +Warning: 'nvar' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/motion/neb_md_utils.F:74:92: + + 74 | INTEGER :: iatom, ivar, natom, nparticle, nvar + | ^~~~ +note: 'nvar' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'scine_utils.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' colvar_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_3x3.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_3x3.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho0_ggrid.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:143:78: + + 143 | force(:, iparticle) = core_particle_set(shell_index)%f(:) + | ^ +Warning: 'core_particle_set.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:84:61: + + 84 | TYPE(particle_type), DIMENSION(:), POINTER :: core_particle_set, particle_set, & + | ^~~~~~~~~~~~~~~~~ +note: 'core_particle_set.data' was declared here +/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:143:78: + + 143 | force(:, iparticle) = core_particle_set(shell_index)%f(:) + | ^ +Warning: 'core_particle_set.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:84:61: + + 84 | TYPE(particle_type), DIMENSION(:), POINTER :: core_particle_set, particle_set, & + | ^~~~~~~~~~~~~~~~~ +note: 'core_particle_set.offset' was declared here +/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:143:78: + + 143 | force(:, iparticle) = core_particle_set(shell_index)%f(:) + | ^ +Warning: 'core_particle_set.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:84:61: + + 84 | TYPE(particle_type), DIMENSION(:), POINTER :: core_particle_set, particle_set, & + | ^~~~~~~~~~~~~~~~~ +note: 'core_particle_set.dim[0].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:144:89: + + 144 | force(:, natom + shell_index) = shell_particle_set(shell_index)%f(:) + | ^ +Warning: 'shell_particle_set.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:85:61: + + 85 | shell_particle_set + | ^~~~~~~~~~~~~~~~~~ +note: 'shell_particle_set.data' was declared here +/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:144:89: + + 144 | force(:, natom + shell_index) = shell_particle_set(shell_index)%f(:) + | ^ +Warning: 'shell_particle_set.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:85:61: + + 85 | shell_particle_set + | ^~~~~~~~~~~~~~~~~~ +note: 'shell_particle_set.offset' was declared here +/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:144:89: + + 144 | force(:, natom + shell_index) = shell_particle_set(shell_index)%f(:) + | ^ +Warning: 'shell_particle_set.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/constraint_fxd.F:85:61: + + 85 | shell_particle_set + | ^~~~~~~~~~~~~~~~~~ +note: 'shell_particle_set.dim[0].stride' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'neb_md_utils.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_4x6.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_4x6.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gapw_densities.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gapw_densities.F qs_gapw_densities.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eeq_method.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_image_charge.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_subgroups.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_subgroups.F qs_tddfpt2_subgroups.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'library_tests.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_d4.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F qs_dispersion_d4.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_eeq.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_eeq.F xtb_eeq.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_fxd.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'colvar_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/colvar_methods.F colvar_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_3x3.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_3x3.F constraint_3x3.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_4x6.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_4x6.F constraint_4x6.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_integrals.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmmx_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmmx_util.F qmmmx_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_se_energy.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_se_energy.F qmmm_se_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' colvar_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_se_forces.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_se_forces.F qmmm_se_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_4x6.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_4x6.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_restart_force_eval.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_3x3.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_3x3.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_init.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_se_forces.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_se_energy.F90 +/build/reproducible-path/cp2k-2025.1/src/minbas_methods.F:171:14: + + 171 | ELSEIF (nmo /= nmx) THEN + | ^ +Warning: 'nmx' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/minbas_methods.F:87:78: + + 87 | ndep, nmao, nmo, nmx, np, np1, nspin, & + | ^~~ +note: 'nmx' declared here /build/reproducible-path/cp2k-2025.1/src/hfx_energy_potential.F:972:94: 972 | memory_parameter%actual_memory_usage_disk, .TRUE.) | ^ Warning: 'maxval_cache_disk' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'metadynamics_utils.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/hfx_energy_potential.F:219:75: 219 | TYPE(hfx_cache_type), POINTER :: maxval_cache, maxval_cache_disk @@ -59306,119 +59415,67 @@ 203 | full_ks_beta, max_contraction, ptr_p_1, ptr_p_2, ptr_p_3, ptr_p_4, shm_pmax_atom, & | ^~~~~~~ note: 'MEM[(integer(kind=8) *)&ptr_p_4 + 64B]' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_image_charge.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gapw_densities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gapw_densities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_subgroups.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_subgroups.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_eeq.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_eeq.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_d4.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_d4.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_force.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermal_region_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'scine_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_coulomb.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/motion/neb_md_utils.F:119:47: +/build/reproducible-path/cp2k-2025.1/src/optimize_embedding_potential.F:1885:4: - 119 | temp = 2.0_dp*akin/REAL(nvar, KIND=dp) - | ^ -Warning: 'nvar' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/motion/neb_md_utils.F:74:92: + 1885 | SUBROUTINE inv_Hessian_update(grad, prev_grad, step, prev_inv_Hess, inv_Hess) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'inv_hessian_update' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/optimize_embedding_potential.F:1992:4: - 74 | INTEGER :: iatom, ivar, natom, nparticle, nvar - | ^~~~ -note: 'nvar' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'efield_tb_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/efield_tb_methods.F efield_tb_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_ehess.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_ehess.F xtb_ehess.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_ehess_force.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_ehess_force.F xtb_ehess_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:30 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_ehess.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:30 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' efield_tb_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:30 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ehess_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_ehess_force.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields_ext.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_init.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'neb_md_utils.mod' due to: target does not exist + 1992 | SUBROUTINE Hessian_update(grad, prev_grad, step, prev_Hess, Hess) + | ^~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'hessian_update' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'environment.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:737:13: + + 737 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:642:53: + + 642 | kkind, kset, kset_end, kset_start, last_jatom, last_set, mepos, my_eri_method, na, natom, & + | ^~~~~~~~~~ +note: 'last_jatom' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gopt_f_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'environment.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_fields.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_fields.F force_fields.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'space_groups.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/space_groups.F space_groups.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cg_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cg_utils.F cg_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:31 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_fields.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_fields.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:31 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' space_groups.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:31 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cg_utils.F90 -/build/reproducible-path/cp2k-2025.1/src/minbas_methods.F:171:14: +/build/reproducible-path/cp2k-2025.1/src/xtb_ehess.F:227:13: - 171 | ELSEIF (nmo /= nmx) THEN - | ^ -Warning: 'nmx' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/minbas_methods.F:87:78: + 227 | IF (do_ewald) THEN + | ^ +Warning: 'do_ewald' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xtb_ehess.F:90:70: - 87 | ndep, nmao, nmo, nmx, np, np1, nspin, & - | ^~~ -note: 'nmx' declared here + 90 | LOGICAL :: defined, do_ewald, found + | ^~~~~~~~ +note: 'do_ewald' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cg_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cg_utils.F cg_utils.F90 /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1062:4: 1062 | SUBROUTINE gerror(ga, gd, ev1, ev2, ev3, ev4) | 1~~~~~~~~~~~~~~~~ Warning: 'gerror' declared at (1) may shadow the intrinsic of the same name. In order to call the intrinsic, explicit INTRINSIC declarations may be required. [-Wintrinsic-shadow] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_integrals.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/optimize_embedding_potential.F:1885:4: - - 1885 | SUBROUTINE inv_Hessian_update(grad, prev_grad, step, prev_inv_Hess, inv_Hess) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'inv_hessian_update' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/optimize_embedding_potential.F:1992:4: - - 1992 | SUBROUTINE Hessian_update(grad, prev_grad, step, prev_Hess, Hess) - | ^~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'hessian_update' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmmx_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmmx_util.F qmmmx_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_se_energy.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_se_energy.F qmmm_se_energy.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_se_forces.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_se_forces.F qmmm_se_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:31 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:31 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_se_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:31 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_se_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_se_forces.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_ddapc.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gapw_densities.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:1276:70: - - 1276 | tag_comp = enum_i2c(enum, colvar%xyz_diag_param%component) - | 1 -Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:1286:80: +/build/reproducible-path/cp2k-2025.1/src/xtb_ehess_force.F:294:13: - 1286 | tag_comp1 = enum_i2c(enum, colvar%xyz_outerdiag_param%components(1)) - | 1 -Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:1289:80: + 294 | IF (do_ewald) THEN + | ^ +Warning: 'do_ewald' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xtb_ehess_force.F:103:88: - 1289 | tag_comp2 = enum_i2c(enum, colvar%xyz_outerdiag_param%components(2)) - | 1 -Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot_minimizer.mod' due to: target does not exist + 103 | LOGICAL :: calculate_forces, defined, do_ewald, & + | ^~~~~~~~ +note: 'do_ewald' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/space_groups.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' space_groups.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cg_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minbas_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot_eigensolver.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot_eigensolver.F qs_ot_eigensolver.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot_scf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot_scf.F qs_ot_scf.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minbas_wfn_analysis.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minbas_wfn_analysis.F minbas_wfn_analysis.F90 /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_utils.F:1543:42: 1543 | nzeroed = nzeroed + 1 @@ -59469,42 +59526,24 @@ 1116 | SUBROUTINE verror(va, vd, ev1, ev2) | ^~~~~~~~~~~~~~~~~ Warning: 'verror' defined but not used [-Wunused-function] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_eigensolver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_scf.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_restart_force_eval.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'metadynamics_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_d4.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_pairpot.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_pairpot.F qs_dispersion_pairpot.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minbas_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'minbas_wfn_analysis.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/minbas_wfn_analysis.F minbas_wfn_analysis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_pairpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_pairpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' minbas_wfn_analysis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gapw_densities.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_properties_dft.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_force_eval.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_force_eval.F input_cp2k_force_eval.F90 -/build/reproducible-path/cp2k-2025.1/src/xtb_ehess.F:227:13: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"minbas_wfn_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' minbas_wfn_analysis.F90 +/build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:1276:70: - 227 | IF (do_ewald) THEN - | ^ -Warning: 'do_ewald' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_optimize_ri_basis.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xtb_ehess.F:90:70: + 1276 | tag_comp = enum_i2c(enum, colvar%xyz_diag_param%component) + | 1 +Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:1286:80: - 90 | LOGICAL :: defined, do_ewald, found - | ^~~~~~~~ -note: 'do_ewald' was declared here + 1286 | tag_comp1 = enum_i2c(enum, colvar%xyz_outerdiag_param%components(1)) + | 1 +Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:1289:80: + + 1289 | tag_comp2 = enum_i2c(enum, colvar%xyz_outerdiag_param%components(2)) + | 1 +Warning: CHARACTER expression will be truncated in assignment (7/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_d4.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/mp2_gpw_method.F:302:94: 302 | my_I_occupied_end = my_I_occupied_start + vector_batch_I_size_group(i_group_counter) - 1 @@ -59571,9 +59610,11 @@ 147 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: BIb_C, BIb_Ex, BIb_send | ^~~~~ note: 'bib_c.dim[2].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_3x3.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dispersion_pairpot.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dispersion_pairpot.F qs_dispersion_pairpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dispersion_pairpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dispersion_pairpot.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot_minimizer.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_force_eval.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_force_eval.F90 /build/reproducible-path/cp2k-2025.1/src/xtb_eeq.F:174:37: 174 | chia(iatom) = xi - kappa*scn @@ -59584,15 +59625,12 @@ 92 | REAL(KIND=dp) :: ala, alb, cn, esg, gama, kappa, scn, & | ^~~ note: 'scn' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot_eigensolver.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_ehess.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_output.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_output.F qs_scf_output.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_pdos.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_pdos.F qs_pdos.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_utils.F xas_tdp_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_output.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot_scf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot_scf.F qs_ot_scf.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ot_eigensolver.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ot_eigensolver.F qs_ot_eigensolver.F90 /build/reproducible-path/cp2k-2025.1/src/qmmm_se_forces.F:208:17: 208 | CPASSERT(iqm == number_qm_atoms) @@ -59603,38 +59641,69 @@ 89 | INTEGER :: handle, i, iatom, ikind, iqm, ispin, & | ^~~ note: 'iqm' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_pdos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_pdos.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_optimize_ri_basis.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ot_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ot_eigensolver.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_eeq.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_properties_dft.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_force_eval.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_force_eval.F input_cp2k_force_eval.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_atom.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_se_forces.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"input_cp2k_force_eval.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' input_cp2k_force_eval.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'efield_tb_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_ehess_force.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_matrices.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_matrices.F qs_dftb_matrices.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_ks_matrix.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_ks_matrix.F xtb_ks_matrix.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:12 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_matrices.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_subgroups.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_lri_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_lri_utils.F qs_tddfpt2_lri_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:12 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ks_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_ks_matrix.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_se_energy.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_operators.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:737:13: - - 737 | IF (jatom /= last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:642:53: - - 642 | kkind, kset, kset_end, kset_start, last_jatom, last_set, mepos, my_eri_method, na, natom, & - | ^~~~~~~~~~ -note: 'last_jatom' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_fit.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_fit.F atom_fit.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_atom.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F xas_tdp_atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:12 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_lri_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_lri_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_admm_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_admm_methods.F atom_admm_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_grb.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_grb.F atom_grb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_fit.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_fit.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_ehess.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_fit.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_fit.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_se_forces.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_environment_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_environment_types.F mc_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_atom.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_misc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_misc.F mc_misc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_grb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_grb.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_move_control.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_move_control.F mc_move_control.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_admm_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_derivatives.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_misc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_misc.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_move_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_move_control.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_3x3.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_gpw_method.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_admm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_grb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_grb.F90 /build/reproducible-path/cp2k-2025.1/src/qmmmx_util.F:570:76: 570 | CALL set_atomic_kind(atomic_kind=atomic_kind, name=kind_name_a(ik)) @@ -59645,35 +59714,17 @@ 533 | TYPE(atomic_kind_type), POINTER :: atomic_kind | ^~~~~~~~~~~ note: 'atomic_kind' was declared here -/build/reproducible-path/cp2k-2025.1/src/xtb_ehess_force.F:294:13: - - 294 | IF (do_ewald) THEN - | ^ -Warning: 'do_ewald' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xtb_ehess_force.F:103:88: - - 103 | LOGICAL :: calculate_forces, defined, do_ewald, & - | ^~~~~~~~ -note: 'do_ewald' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_atom.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_environment_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_environment_types.F mc_environment_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_misc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_misc.F mc_misc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_move_control.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_move_control.F mc_move_control.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_force_eval.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:35 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_move_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_move_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:35 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:35 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_misc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_misc.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_se_energy.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_derivatives.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot_eigensolver.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_output.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_output.F qs_scf_output.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_pdos.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_pdos.F qs_pdos.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_utils.F xas_tdp_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_pdos.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_pdos.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_utils.F90 /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_utils.F:1130:70: 1130 | ALLOCATE (mixed_cdft%matrix%mixed_mo_coeff(nforce_eval, nspins)) @@ -59750,22 +59801,6 @@ 1052 | TYPE(cp_fm_type), ALLOCATABLE, DIMENSION(:, :) :: matrix_p_tmp, mixed_matrix_p_tmp, & | ^~~~~~~~~~~~~~~~~~ note: 'mixed_matrix_p_tmp.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_subgroups.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot_scf.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_lri_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_lri_utils.F qs_tddfpt2_lri_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'space_groups.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_4x6.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_lbfgs.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs.F cp_lbfgs.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmmx_util.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:35 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_lri_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_lri_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:35 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cp_lbfgs.F90 /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_utils.F:317:38: 317 | IF ((nmolecule == 1) .AND. (nkind == 1)) nointer = .FALSE. @@ -59776,42 +59811,18 @@ 246 | last_atom, natom, natom_local, nkind, nmol_local, nmol_per_kind, nmolecule, nshell, & | ^~~~~~~~~ note: 'nmolecule' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_pairpot.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_dispersion.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_dispersion.F qs_dftb_dispersion.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_matrices.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_matrices.F xtb_matrices.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ec_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ec_environment.F ec_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_dispersion.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_dispersion.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_matrices.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_environment.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cg_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_4x6.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_gpw_method.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_force_eval.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_environment_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmmx_util.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_move_control.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermostat_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_misc.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'extended_system_init.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/extended_system_init.F extended_system_init.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'al_system_dynamics.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_dynamics.F al_system_dynamics.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_dynamics.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/csvr_system_dynamics.F csvr_system_dynamics.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'extended_system_dynamics.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/extended_system_dynamics.F extended_system_dynamics.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gle_system_dynamics.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/gle_system_dynamics.F gle_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' extended_system_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' csvr_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' al_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' extended_system_dynamics.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/gle_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' gle_system_dynamics.F90 /build/reproducible-path/cp2k-2025.1/src/atom_grb.F:765:69: 765 | WRITE (iunit, "(40I3)") nval, lmin, lmax, nprim, (nbas(l), l=lmin, lmax) @@ -59852,48 +59863,46 @@ 734 | INTEGER :: i, j, l, lmax, lmin, nval | ^~~~ note: 'lmin' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'efield_tb_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_pairpot.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_matrices.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_matrices.F qs_dftb_matrices.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_ks_matrix.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_ks_matrix.F xtb_ks_matrix.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_misc.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dftb_dispersion.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dftb_dispersion.F qs_dftb_dispersion.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xtb_matrices.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xtb_matrices.F xtb_matrices.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ec_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ec_environment.F ec_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermostat_utils.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:37 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_matrices.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:37 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_ks_matrix.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_ks_matrix.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_ehess_force.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'space_groups.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_embedding_potential.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'extended_system_init.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/extended_system_init.F extended_system_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dftb_dispersion.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dftb_dispersion.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xtb_matrices.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xtb_matrices.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'extended_system_dynamics.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/extended_system_dynamics.F extended_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' extended_system_init.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'al_system_dynamics.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_dynamics.F al_system_dynamics.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'csvr_system_dynamics.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/csvr_system_dynamics.F csvr_system_dynamics.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gle_system_dynamics.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/gle_system_dynamics.F gle_system_dynamics.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ot_scf.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minbas_wfn_analysis.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_lbfgs.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs.F cp_lbfgs.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cg_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs.F:1370:38: - - 1370 | t(nbreak) = tl/(-neggi) - | ^ -Warning: 'tl' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs.F:1284:89: - - 1284 | f2, f2_org, neggi, tj, tj0, tl, tsum, & - | ^~ -note: 'tl' was declared here -/build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs.F:1285:61: - - 1285 | tu, wmc, wmp, wmw, zibp - | ^~ -Warning: 'tu' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_pdos.F:659:95: - - 659 | r_ldos_p(ildos)%ldos%pdos_array(imo) = r_ldos_p(ildos)%ldos%pdos_array(imo)*dvol - | ^ -Warning: 'dvol' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_pdos.F:171:71: - - 171 | REAL(KIND=dp) :: dh(3, 3), dvol, e_fermi, r(3), r_vec(3), & - | ^~~~ -note: 'dvol' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_dynamics.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/al_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' al_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/extended_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' extended_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/csvr_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' csvr_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/gle_system_dynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' gle_system_dynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cp_lbfgs.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_embedding_potential.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_ks_matrix.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/atom_fit.F:1868:21: @@ -59905,10 +59914,8 @@ 1851 | FUNCTION rcpro(id, xval) RESULT(yval) | ^ note: 'yval' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_energy_potential.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'minbas_wfn_analysis.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_ri_libint.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_ri_libint.F mp2_ri_libint.F90 /build/reproducible-path/cp2k-2025.1/src/atom_admm_methods.F:213:19: 213 | IF (rhf) THEN @@ -59919,9 +59926,18 @@ 69 | LOGICAL :: pp_calc, rhf | ^~~ note: 'rhf' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_dispersion.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_energy_potential.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:38 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_libint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_libint.F90 +/build/reproducible-path/cp2k-2025.1/src/atom_grb.F:264:17: + + 264 | CPASSERT(fhomo > ABS(dene)) + | ^ +Warning: 'fhomo' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_grb.F:94:68: + + 94 | energy_ex(0:lmat), energy_ref, energy_vb(0:lmat), expzet, fhomo, o, prefac, rconf, rk, & + | ^~~~~ +note: 'fhomo' was declared here /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_dynamics.F:291:46: 291 | map_info%v_scale(imap) = 1.0_dp @@ -59932,23 +59948,57 @@ 274 | INTEGER :: i, imap | ^~~~ note: 'imap' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_dynamics.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_ri_libint.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_ri_libint.F mp2_ri_libint.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_pdos.F:659:95: + + 659 | r_ldos_p(ildos)%ldos%pdos_array(imo) = r_ldos_p(ildos)%ldos%pdos_array(imo)*dvol + | ^ +Warning: 'dvol' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_pdos.F:171:71: + + 171 | REAL(KIND=dp) :: dh(3, 3), dvol, e_fermi, r(3), r_vec(3), & + | ^~~~ +note: 'dvol' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_libint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_libint.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'al_system_dynamics.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_dispersion.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'extended_system_dynamics.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/atom_grb.F:264:17: +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_lri_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/qs_dftb_matrices.F:365:22: - 264 | CPASSERT(fhomo > ABS(dene)) - | ^ -Warning: 'fhomo' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_grb.F:94:68: + 365 | IF (use_virial) THEN + | ^ +Warning: 'use_virial' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_dftb_matrices.F:110:91: - 94 | energy_ex(0:lmat), energy_ref, energy_vb(0:lmat), expzet, fhomo, o, prefac, rconf, rk, & - | ^~~~~ -note: 'fhomo' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_lri_utils.mod' due to: target does not exist + 110 | LOGICAL :: defined, found, omit_headers, use_virial + | ^~~~~~~~~~ +note: 'use_virial' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_output.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gle_system_dynamics.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs.F:1370:38: + + 1370 | t(nbreak) = tl/(-neggi) + | ^ +Warning: 'tl' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs.F:1284:89: + + 1284 | f2, f2_org, neggi, tj, tj0, tl, tsum, & + | ^~ +note: 'tl' was declared here +/build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs.F:1285:61: + + 1285 | tu, wmc, wmp, wmw, zibp + | ^~ +Warning: 'tu' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mao_wfn_analysis.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:5525:24: @@ -59960,29 +60010,41 @@ 5446 | REAL(kind=dp) :: cv_val, f1, ftmp(3) | ^~~~~~ note: 'cv_val' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_output.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'extended_system_init.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_lbfgs.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'barostat_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/barostat_types.F barostat_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' barostat_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gle_system_dynamics.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'thermostat_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_methods.F thermostat_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'barostat_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/barostat_types.F barostat_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' barostat_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_ks_matrix.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/thermostat_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' thermostat_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_matrices.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_tb_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F qmmm_tb_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_pdos.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_cdft_utils.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_tb_methods.F90 /build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:2951:10: 2951 | e, ftmp(3), o0, rcb, rt2, rtmp(3), rtru, ru2, sine, ss(3), xba, xca, xcb, xdb, xdc, xt, & | ^ Warning: 'e' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mao_wfn_analysis.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_lbfgs.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_admm_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'barostat_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'barostat_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/barostat_utils.F barostat_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_barostats.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/input_cp2k_barostats.F input_cp2k_barostats.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/input_cp2k_barostats.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' input_cp2k_barostats.F90 /build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:2035:19: 2035 | colvar%ss = r @@ -59993,105 +60055,62 @@ 1952 | REAL(dp) :: fi(3), r, r0(3), ss(3), xi(3), xpi(3) | ^ note: 'r' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_cdft_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/qs_dftb_matrices.F:365:22: - - 365 | IF (use_virial) THEN - | ^ -Warning: 'use_virial' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_dftb_matrices.F:110:91: +/build/reproducible-path/cp2k-2025.1/src/atom_fit.F:199:61: - 110 | LOGICAL :: defined, found, omit_headers, use_virial - | ^~~~~~~~~~ -note: 'use_virial' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'barostat_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'barostat_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/barostat_utils.F barostat_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_barostats.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/input_cp2k_barostats.F input_cp2k_barostats.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:42 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' barostat_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:42 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/input_cp2k_barostats.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' input_cp2k_barostats.F90 + 199 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: xtob + | ^~~~ +Warning: 'xtob.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/thermostat/barostat_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/' barostat_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ec_environment.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_barostats.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_md.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/input_cp2k_md.F input_cp2k_md.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tensors.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_md.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' input_cp2k_md.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_ri.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_ri.F hfx_ri.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_gw_im_time_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_gw_im_time_util.F rpa_gw_im_time_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_im_time_force_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_types.F rpa_im_time_force_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:42 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_im_time_force_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:42 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_im_time_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_im_time_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:42 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_ri.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_ri.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_im_time_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_im_time_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_im_time_force_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'barostat_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_matrices.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_tb_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F qmmm_tb_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_tb_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_tb_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_barostats.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_md.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/input_cp2k_md.F input_cp2k_md.F90 -/build/reproducible-path/cp2k-2025.1/src/atom_fit.F:199:61: - - 199 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: xtob - | ^~~~ -Warning: 'xtob.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_md.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' input_cp2k_md.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_grb.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_admm_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_matrices.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermostat_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a csvr_system_dynamics.o input_cp2k_barostats.o barostat_utils.o extended_system_init.o csvr_system_mapping.o gle_system_dynamics.o barostat_types.o al_system_dynamics.o thermostat_methods.o csvr_system_init.o al_system_mapping.o al_system_init.o thermostat_mapping.o extended_system_mapping.o extended_system_dynamics.o thermostat_types.o thermostat_utils.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a csvr_system_init.o thermostat_mapping.o gle_system_dynamics.o csvr_system_dynamics.o al_system_dynamics.o csvr_system_mapping.o thermostat_methods.o al_system_init.o extended_system_init.o al_system_mapping.o barostat_types.o input_cp2k_barostats.o extended_system_dynamics.o extended_system_mapping.o barostat_utils.o thermostat_types.o thermostat_utils.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_md.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'simpar_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/simpar_methods.F simpar_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_motion.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/start/input_cp2k_motion.F input_cp2k_motion.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:45 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' simpar_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:45 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k_motion.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' input_cp2k_motion.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_fit.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_matrices.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_grb.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_energy.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_energy.F atom_energy.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_basis.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_basis.F atom_basis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_pseudo.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_pseudo.F atom_pseudo.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_kind_orbitals.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_kind_orbitals.F atom_kind_orbitals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_pseudo.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_pseudo.F90 /build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:1150:61: 1150 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: dso | ^~~ Warning: 'dso.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_kind_orbitals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_kind_orbitals.F90 -/build/reproducible-path/cp2k-2025.1/src/hfx_ri.F:952:4: - - 952 | SUBROUTINE sort_unique_blkind_2d(blk_ind) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'sort_unique_blkind_2d' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'simpar_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_fit.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_kind_orbitals.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_kind_orbitals.F atom_kind_orbitals.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_pseudo.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_pseudo.F atom_pseudo.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_basis.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_basis.F atom_basis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom_energy.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom_energy.F atom_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_kind_orbitals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_kind_orbitals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_pseudo.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_pseudo.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom_energy.F90 /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:1402:37: 1402 | force_ab = -fsr*rij/dr @@ -60102,6 +60121,29 @@ 1357 | REAL(KIND=dp) :: dr, drm, drp, dsr, fsr, qeff, rt1, rt2, & | ^~~ note: 'fsr' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vxc_atom.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_methods.F admm_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_adiabatic_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc_adiabatic_utils.F xc_adiabatic_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_pot_saop.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc_pot_saop.F xc_pot_saop.F90 +/build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:898:13: + + 898 | IF (do_dftb) THEN + | ^ +Warning: 'do_dftb' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:844:70: + + 844 | LOGICAL :: defined, do_dftb, do_multipoles, do_xtb, & + | ^~~~~~~ +note: 'do_dftb' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_pot_saop.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_pot_saop.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_adiabatic_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_methods.F90 /build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:1576:37: 1576 | IF (do_gga) dsgf = 0.0_dp @@ -60143,21 +60185,6 @@ | ^~~~ note: 'dsgf.dim[1].ubound' was declared here /build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:1338:65: Warning: 'dsgf.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_ri_libint.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_direct_method.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F mp2_direct_method.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:47 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_direct_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_direct_method.F90 -/build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:898:13: - - 898 | IF (do_dftb) THEN - | ^ -Warning: 'do_dftb' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:844:70: - - 844 | LOGICAL :: defined, do_dftb, do_multipoles, do_xtb, & - | ^~~~~~~ -note: 'do_dftb' was declared here /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:655:13: 655 | IF (do_dftb) THEN @@ -60168,26 +60195,6 @@ 608 | LOGICAL :: defined, do_dftb, do_xtb, found | ^~~~~~~ note: 'do_dftb' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw_im_time_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_im_time.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F rpa_im_time.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'post_scf_bandstructure_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F post_scf_bandstructure_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:48 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_im_time.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:48 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' post_scf_bandstructure_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'colvar_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'colvar_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/colvar_utils.F colvar_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_clv.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_clv.F constraint_clv.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_util.F constraint_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'restraint.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/restraint.F restraint.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'metadynamics.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadynamics.F metadynamics.F90 /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:376:10: 376 | IF (do_dftb) THEN @@ -60198,22 +60205,6 @@ 323 | LOGICAL :: defined, do_dftb, do_multipoles, do_xtb, & | ^~~~~~~ note: 'do_dftb' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_motion.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/start/input_cp2k.F input_cp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:48 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' colvar_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:48 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_clv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_clv.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:48 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:48 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' metadynamics.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_basis.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:48 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"restraint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' restraint.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:48 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' input_cp2k.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_pseudo.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vxc_atom.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:276:10: 276 | IF (do_dftb) THEN @@ -60224,235 +60215,82 @@ 251 | LOGICAL :: do_dftb, do_xtb | ^~~~~~~ note: 'do_dftb' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/admm_methods.F admm_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_adiabatic_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc_adiabatic_utils.F xc_adiabatic_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_pot_saop.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xc_pot_saop.F xc_pot_saop.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_adiabatic_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_adiabatic_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xc_pot_saop.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xc_pot_saop.F90 /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:160:10: 160 | IF (do_dftb) THEN | ^ Warning: 'do_dftb' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_methods.F90 /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:114:70: 114 | LOGICAL :: defined, do_dftb, do_xtb, found | ^~~~~~~ note: 'do_dftb' was declared here -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1253:82: - - 1253 | index_proc_shift, j, n, proc_receive, proc_send, r, R_global, R_offset, R_offset_rec, & - | ^~~~~~~~~~~~ -Warning: 'r_offset_rec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1344:57: - - 1344 | BIb_RS_mat_rec(1:dimen, 1:Rsize_rec) - | ^ -Warning: 'rsize_rec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1254:19: - - 1254 | R_start, Rsize_rec, s, S_global, S_offset, S_offset_rec, Ssize_rec - | ^~~~~~~~~ -note: 'rsize_rec' was declared here -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1254:53: - - 1254 | R_start, Rsize_rec, s, S_global, S_offset, S_offset_rec, Ssize_rec - | ^~~~~~~~~~~~ -Warning: 's_offset_rec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1348:81: - - 1348 | BIb_RS_mat_rec(1:dimen, Rsize_rec + 1:Rsize_rec + Ssize_rec) - | ^ -Warning: 'ssize_rec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1254:67: - - 1254 | R_start, Rsize_rec, s, S_global, S_offset, S_offset_rec, Ssize_rec - | ^~~~~~~~~ -note: 'ssize_rec' was declared here -/build/reproducible-path/cp2k-2025.1/src/atom_energy.F:530:17: - - 530 | CPASSERT(fhomo > ABS(dene)) - | ^ -Warning: 'fhomo' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_energy.F:493:81: +/build/reproducible-path/cp2k-2025.1/src/hfx_ri.F:952:4: - 493 | REAL(KIND=dp) :: dene, emax, expzet, fhomo, o, prefac, & - | ^~~~~ -note: 'fhomo' was declared here + 952 | SUBROUTINE sort_unique_blkind_2d(blk_ind) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'sort_unique_blkind_2d' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_basis.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_md.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'simpar_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/simpar_methods.F simpar_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_motion.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/start/input_cp2k_motion.F input_cp2k_motion.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_tb_methods.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/simpar_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' simpar_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k_motion.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' input_cp2k_motion.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_gpw_energy.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_gpw_energy.F qmmm_gpw_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:50 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gpw_energy.F90 -/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2136:40: - - 2136 | elements(i_kind) = atom_name - | 1 -Warning: CHARACTER expression will be truncated in assignment (3/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_clv.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'restraint.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/metadynamics.F:603:22: - - 603 | IF (scal*check_val > 0.0_dp) CYCLE - | ^ -Warning: 'check_val' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/metadynamics.F:377:61: - - 377 | REAL(kind=dp) :: check_val, diff_ss, dt, ekin_w, fac_t, & - | ^~~~~~~~~ -note: 'check_val' was declared here -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:843:96: - - 843 | task_counter_RS(global_counter, 4) = task_counter_RS(global_counter, 4) + 1 - | ^ -Warning: 'global_counter' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:410:84: - - 410 | INTEGER :: case_index, counter_proc, elements_ij_proc_rec, elements_kl_proc, global_counter, & - | ^~~~~~~~~~~~~~ -note: 'global_counter' was declared here -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1021:87: - - 1021 | BIb_RS_mat_rec(1:dimen, Rsize_rec + 1:Rsize_rec + Ssize_rec) - | ^ -Warning: 'ssize_rec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:420:87: - - 420 | sphi_b_u3, sphi_c_u1, sphi_c_u2, sphi_c_u3, sphi_d_u1, sphi_d_u2, sphi_d_u3, Ssize_rec, & - | ^~~~~~~~~ -note: 'ssize_rec' was declared here -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:419:10: - - 419 | S_offset_rec, same_size_kl_index, sphi_a_u1, sphi_a_u2, sphi_a_u3, sphi_b_u1, sphi_b_u2, & - | ^~~~~~~~~~~~ -Warning: 's_offset_rec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1017:63: - - 1017 | BIb_RS_mat_rec(1:dimen, 1:Rsize_rec) - | ^ -Warning: 'rsize_rec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:418:78: - - 418 | primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & - | ^~~~~~~~~ -note: 'rsize_rec' was declared here -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:418:64: - - 418 | primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & - | ^~~~~~~~~~~~ -Warning: 'r_offset_rec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_kind_orbitals.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hirshfeld_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hirshfeld_methods.F hirshfeld_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'sirius_interface.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/sirius_interface.F sirius_interface.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_atomic_block.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_atomic_block.F qs_atomic_block.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_harris_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_harris_utils.F qs_harris_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hirshfeld_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sirius_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' sirius_interface.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'metadynamics.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_pseudo.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_atomic_block.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_atomic_block.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gpw_energy.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_ri_libint.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harris_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_harris_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_direct_method.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F mp2_direct_method.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_adiabatic_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_energy.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom.F atom.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:52 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom.F90 -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:412:54: - - 412 | nze_M_occ = nze_M_occ + nze - | ^ -Warning: 'nze_m_occ' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:182:91: - - 182 | INTEGER(int_8) :: nze, nze_dm_occ, nze_dm_virt, nze_M_occ, & - | ^~~~~~~~~ -note: 'nze_m_occ' was declared here -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:457:56: - - 457 | nze_M_virt = nze_M_virt + nze - | ^ -Warning: 'nze_m_virt' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:183:61: - - 183 | nze_M_virt, nze_O - | ^~~~~~~~~~ -note: 'nze_m_virt' was declared here -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:413:54: - - 413 | occ_M_occ = occ_M_occ + occ - | ^ -Warning: 'occ_m_occ' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:194:91: - - 194 | REAL(dp) :: occ, occ_dm_occ, occ_dm_virt, occ_M_occ, & - | ^~~~~~~~~ -note: 'occ_m_occ' was declared here -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:458:56: - - 458 | occ_M_virt = occ_M_virt + occ - | ^ -Warning: 'occ_m_virt' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:195:61: - - 195 | occ_M_virt, occ_O, t1_flop - | ^~~~~~~~~~ -note: 'occ_m_virt' was declared here -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:375:52: - - 375 | nze_O = nze_O + nze - | ^ -Warning: 'nze_o' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:183:73: - - 183 | nze_M_virt, nze_O - | ^~~~~ -note: 'nze_o' was declared here -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:376:52: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_direct_method.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_direct_method.F90 +/build/reproducible-path/cp2k-2025.1/src/atom_energy.F:530:17: - 376 | occ_O = occ_O + occ - | ^ -Warning: 'occ_o' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:195:73: + 530 | CPASSERT(fhomo > ABS(dene)) + | ^ +Warning: 'fhomo' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_energy.F:493:81: - 195 | occ_M_virt, occ_O, t1_flop - | ^~~~~ -note: 'occ_o' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'sirius_interface.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint.F constraint.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'colvar_utils.mod' due to: target does not exist + 493 | REAL(KIND=dp) :: dene, emax, expzet, fhomo, o, prefac, & + | ^~~~~ +note: 'fhomo' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw_im_time_util.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'averages_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/averages_types.F averages_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_constraint_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_constraint_util.F topology_constraint_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/averages_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' averages_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_constraint_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_constraint_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gpw_energy.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'colvar_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_atomic_block.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_im_time.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F rpa_im_time.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'post_scf_bandstructure_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F post_scf_bandstructure_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'restraint.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/restraint.F restraint.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'metadynamics.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/metadynamics.F metadynamics.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'colvar_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/colvar_utils.F colvar_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_clv.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_clv.F constraint_clv.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint_util.F constraint_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_im_time.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"restraint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' restraint.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' post_scf_bandstructure_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"metadynamics.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' metadynamics.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"colvar_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' colvar_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint_clv.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint_clv.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'simpar_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_gpw_forces.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_gpw_forces.F qmmm_gpw_forces.F90 /build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:515:93: 515 | hab_uncontr_d(icoz, jco)] @@ -60643,185 +60481,69 @@ 403 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: hadb_contr, hadb_uncontr, hdab_contr, & | ^~~~~~~~~~ note: 'hadb_contr.dim[2].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2519:41: - - 2519 | ALLOCATE (atom_from_bf_index(n_bf)) - | ^ -Warning: 'n_bf' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2495:91: - - 2495 | j_bf, jatom, jatom_old, jcol, n_bf, & - | ^~~~ -note: 'n_bf' declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gpw_forces.F90 -/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2395:35: - - 2395 | ALLOCATE (atom_from_bf(n_bf)) - | ^ -Warning: 'n_bf' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2361:37: - - 2361 | j_atom_old, j_cell, j_col, n_bf, ncol_local, nrow_local, num_cells, row_global - | ^~~~ -note: 'n_bf' declared here -/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2452:76: - - 2452 | REAL(index_to_cell(3, i_mic_cell), dp)*kpoints%xkp(3, ikp) - | ^ -Warning: 'i_mic_cell' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2360:69: - - 2360 | INTEGER :: col_global, handle, i, i_atom, i_atom_old, i_cell, i_mic_cell, i_row, j, j_atom, & - | ^~~~~~~~~~ -note: 'i_mic_cell' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_energy.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2245:19: - - 2245 | IF (i_kind .NE. kind_of(i_atom)) THEN - | ^ -Warning: 'i_atom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2193:69: +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1253:82: - 2193 | INTEGER :: handle, i_atom, i_global, i_kind, i_row, & - | ^~~~~~ -note: 'i_atom' was declared here -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:159:53: + 1253 | index_proc_shift, j, n, proc_receive, proc_send, r, R_global, R_offset, R_offset_rec, & + | ^~~~~~~~~~~~ +Warning: 'r_offset_rec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1344:57: - 159 | number_i_subset = number_groups/number_j_subset - | ^ -Warning: 'number_j_subset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:101:27: + 1344 | BIb_RS_mat_rec(1:dimen, 1:Rsize_rec) + | ^ +Warning: 'rsize_rec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1254:19: - 101 | number_i_subset, number_j_subset, one, sqrt_number_groups, total_I_size_batch_group, & - | ^~~~~~~~~~~~~~~ -note: 'number_j_subset' was declared here -/build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:425:58: + 1254 | R_start, Rsize_rec, s, S_global, S_offset, S_offset_rec, Ssize_rec + | ^~~~~~~~~ +note: 'rsize_rec' was declared here +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1254:53: - 425 | grid_atom%rad(1:new_nr) = grid_atom%rad(first_ir:nr) - | ^ -Warning: 'first_ir' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:407:61: + 1254 | R_start, Rsize_rec, s, S_global, S_offset, S_offset_rec, Ssize_rec + | ^~~~~~~~~~~~ +Warning: 's_offset_rec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1348:81: - 407 | INTEGER :: first_ir, ir, llmax_p1, na, new_nr, nr - | ^~~~~~~~ -note: 'first_ir' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hirshfeld_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_cdft_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F mixed_cdft_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_cdft_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F qs_cdft_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_eri.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_ri_grad.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_ri_grad.F mp2_ri_grad.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_direct_method.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_optimize_ri_basis.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_optimize_ri_basis.F mp2_optimize_ri_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_cdft_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_grad.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_im_time.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'averages_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_environment_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_environment_types.F md_environment_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_optimize_ri_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_environment_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_atom.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'post_scf_bandstructure_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_env_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_env_utils.F force_env_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_harris_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho_methods.F qs_rho_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_env_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/topology_constraint_util.F:101:73: + 1348 | BIb_RS_mat_rec(1:dimen, Rsize_rec + 1:Rsize_rec + Ssize_rec) + | ^ +Warning: 'ssize_rec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1254:67: - 101 | INTEGER :: cind, first, first_atom, gind, handle, handle2, i, ii, itype, iw, j, k, k1loc, & - | ^~~~~ -Warning: 'itype' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_environment_types.mod' due to: target does not exist + 1254 | R_start, Rsize_rec, s, S_global, S_offset, S_offset_rec, Ssize_rec + | ^~~~~~~~~ +note: 'ssize_rec' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'atom.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/atom.F atom.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"atom.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' atom.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_kind_orbitals.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_conserved_quantities.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_conserved_quantities.F md_conserved_quantities.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'free_energy_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/free_energy_methods.F free_energy_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'integrator_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/integrator_utils.F integrator_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_callback.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/glbopt_callback.F glbopt_callback.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'reftraj_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/reftraj_util.F reftraj_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'wiener_process.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/wiener_process.F wiener_process.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F:942:48: - - 942 | nzeroed = nzeroed + nzeroed_inner - | ^ -Warning: 'nzeroed' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F:911:89: - - 911 | INTEGER :: i1, i2, i3, lb, n1, n2, n3, nzeroed, & - | ^~~~~~~ -note: 'nzeroed' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F:932:54: - - 932 | nzeroed_inner = nzeroed_inner + 1 - | ^ -Warning: 'nzeroed_inner' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F:912:61: - - 912 | nzeroed_inner, ub - | ^~~~~~~~~~~~~ -note: 'nzeroed_inner' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F:963:37: - - 963 | bounds = bounds - (n3/2) - 1 - | ^ -Warning: 'ub' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F:912:76: +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hirshfeld_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hirshfeld_methods.F hirshfeld_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'sirius_interface.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/sirius_interface.F sirius_interface.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_atomic_block.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_atomic_block.F qs_atomic_block.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_harris_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_harris_utils.F qs_harris_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hirshfeld_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hirshfeld_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_atomic_block.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_atomic_block.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"sirius_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' sirius_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_harris_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_harris_utils.F90 +/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2136:40: - 912 | nzeroed_inner, ub - | ^~ -note: 'ub' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_conserved_quantities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_conserved_quantities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/free_energy_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' free_energy_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/glbopt_callback.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' glbopt_callback.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' integrator_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/wiener_process.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' wiener_process.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' reftraj_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gpw_forces.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_callback.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mdctrl_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mdctrl_methods.F mdctrl_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_env_utils.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mdctrl_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' mdctrl_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'wiener_process.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_constraint_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology.F topology.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:58:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_pot_saop.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_methods.mod' due to: target does not exist + 2136 | elements(i_kind) = atom_name + | 1 +Warning: CHARACTER expression will be truncated in assignment (3/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gpw_energy.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mdctrl_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_gpw_forces.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_gpw_forces.F qmmm_gpw_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_gpw_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_gpw_forces.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_motion.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/start/input_cp2k.F input_cp2k.F90 /build/reproducible-path/cp2k-2025.1/src/commutator_rpnl.F:266:22: 266 | IF (set_radius_a(iset) + rprjc(1) < dac) CYCLE @@ -61052,114 +60774,355 @@ 99 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: cprj, rpgfa, sphi_a, vprj_ppnl, x_block, & | ^~~~ note: 'cprj.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_cdft_utils.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/input_cp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' input_cp2k.F90 +/build/reproducible-path/cp2k-2025.1/src/metadynamics.F:603:22: + + 603 | IF (scal*check_val > 0.0_dp) CYCLE + | ^ +Warning: 'check_val' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/metadynamics.F:377:61: + + 377 | REAL(kind=dp) :: check_val, diff_ss, dt, ekin_w, fac_t, & + | ^~~~~~~~~ +note: 'check_val' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'sirius_interface.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_cdft_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F qs_cdft_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_control_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F cp_control_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_control_utils.F90 -/build/reproducible-path/cp2k-2025.1/src/mp2_optimize_ri_basis.F:945:87: +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:843:96: - 945 | max_min_exp_per_l(1, la) = MAX(max_min_exp_per_l(1, la), exp_limits(1, ikind)) + 843 | task_counter_RS(global_counter, 4) = task_counter_RS(global_counter, 4) + 1 + | ^ +Warning: 'global_counter' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:410:84: + + 410 | INTEGER :: case_index, counter_proc, elements_ij_proc_rec, elements_kl_proc, global_counter, & + | ^~~~~~~~~~~~~~ +note: 'global_counter' was declared here +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1021:87: + + 1021 | BIb_RS_mat_rec(1:dimen, Rsize_rec + 1:Rsize_rec + Ssize_rec) | ^ -Warning: 'la' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_optimize_ri_basis.F:895:67: +Warning: 'ssize_rec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:420:87: - 895 | iset, la - | ^~ -note: 'la' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'reftraj_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_conserved_quantities.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:2244:51: + 420 | sphi_b_u3, sphi_c_u1, sphi_c_u2, sphi_c_u3, sphi_d_u1, sphi_d_u2, sphi_d_u3, Ssize_rec, & + | ^~~~~~~~~ +note: 'ssize_rec' was declared here +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:419:10: - 2244 | method = enum_i2c(enum, qs_control%method_id) - | 1 -Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:2249:69: + 419 | S_offset_rec, same_size_kl_index, sphi_a_u1, sphi_a_u2, sphi_a_u3, sphi_b_u1, sphi_b_u2, & + | ^~~~~~~~~~~~ +Warning: 's_offset_rec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1017:63: - 2249 | quadrature = enum_i2c(enum, qs_control%gapw_control%quadrature) - | 1 -Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'free_energy_methods.mod' due to: target does not exist + 1017 | BIb_RS_mat_rec(1:dimen, 1:Rsize_rec) + | ^ +Warning: 'rsize_rec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:418:78: + + 418 | primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & + | ^~~~~~~~~ +note: 'rsize_rec' was declared here +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:418:64: + + 418 | primitive_counter, proc_num, proc_receive, proc_send, R_offset_rec, Rsize_rec, & + | ^~~~~~~~~~~~ +Warning: 'r_offset_rec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'integrator_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_util.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:2501:78: +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_clv.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'constraint.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/constraint.F constraint.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"constraint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' constraint.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'restraint.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'metadynamics.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_eri.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_atomic_block.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_ri_grad.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_ri_grad.F mp2_ri_grad.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_grad.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_grad.F90 +/build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:425:58: - 2501 | i_val=ddapc_restraint_control%density_type) - | ^ -Warning: 'ddapc_section' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:2469:61: + 425 | grid_atom%rad(1:new_nr) = grid_atom%rad(first_ir:nr) + | ^ +Warning: 'first_ir' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:407:61: - 2469 | TYPE(section_vals_type), POINTER :: ddapc_section - | ^~~~~~~~~~~~~ -note: 'ddapc_section' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_ri_grad.mod' due to: target does not exist + 407 | INTEGER :: first_ir, ir, llmax_p1, na, new_nr, nr + | ^~~~~~~~ +note: 'first_ir' was declared here +/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2519:41: + + 2519 | ALLOCATE (atom_from_bf_index(n_bf)) + | ^ +Warning: 'n_bf' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2495:91: + + 2495 | j_bf, jatom, jatom_old, jcol, n_bf, & + | ^~~~ +note: 'n_bf' declared here +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:412:54: + + 412 | nze_M_occ = nze_M_occ + nze + | ^ +Warning: 'nze_m_occ' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:182:91: + + 182 | INTEGER(int_8) :: nze, nze_dm_occ, nze_dm_virt, nze_M_occ, & + | ^~~~~~~~~ +note: 'nze_m_occ' was declared here +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:457:56: + + 457 | nze_M_virt = nze_M_virt + nze + | ^ +Warning: 'nze_m_virt' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:183:61: + + 183 | nze_M_virt, nze_O + | ^~~~~~~~~~ +note: 'nze_m_virt' was declared here +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:413:54: + + 413 | occ_M_occ = occ_M_occ + occ + | ^ +Warning: 'occ_m_occ' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:194:91: + + 194 | REAL(dp) :: occ, occ_dm_occ, occ_dm_virt, occ_M_occ, & + | ^~~~~~~~~ +note: 'occ_m_occ' was declared here +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:458:56: + + 458 | occ_M_virt = occ_M_virt + occ + | ^ +Warning: 'occ_m_virt' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:195:61: + + 195 | occ_M_virt, occ_O, t1_flop + | ^~~~~~~~~~ +note: 'occ_m_virt' was declared here +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:375:52: + + 375 | nze_O = nze_O + nze + | ^ +Warning: 'nze_o' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:183:73: + + 183 | nze_M_virt, nze_O + | ^~~~~ +note: 'nze_o' was declared here +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:376:52: + + 376 | occ_O = occ_O + occ + | ^ +Warning: 'occ_o' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:195:73: + + 195 | occ_M_virt, occ_O, t1_flop + | ^~~~~ +note: 'occ_o' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'colvar_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_optimize_ri_basis.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology_constraint_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology_constraint_util.F topology_constraint_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'averages_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/averages_types.F averages_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology_constraint_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology_constraint_util.F90 +/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2395:35: + + 2395 | ALLOCATE (atom_from_bf(n_bf)) + | ^ +Warning: 'n_bf' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2361:37: + + 2361 | j_atom_old, j_cell, j_col, n_bf, ncol_local, nrow_local, num_cells, row_global + | ^~~~ +note: 'n_bf' declared here +/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2452:76: + + 2452 | REAL(index_to_cell(3, i_mic_cell), dp)*kpoints%xkp(3, ikp) + | ^ +Warning: 'i_mic_cell' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2360:69: + + 2360 | INTEGER :: col_global, handle, i, i_atom, i_atom_old, i_cell, i_mic_cell, i_row, j, j_atom, & + | ^~~~~~~~~~ +note: 'i_mic_cell' was declared here +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:159:53: + + 159 | number_i_subset = number_groups/number_j_subset + | ^ +Warning: 'number_j_subset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:101:27: + + 101 | number_i_subset, number_j_subset, one, sqrt_number_groups, total_I_size_batch_group, & + | ^~~~~~~~~~~~~~~ +note: 'number_j_subset' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/averages_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' averages_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hirshfeld_methods.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_cdft_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F mixed_cdft_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_cdft_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F qs_cdft_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:50 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_cdft_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2245:19: + + 2245 | IF (i_kind .NE. kind_of(i_atom)) THEN + | ^ +Warning: 'i_atom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2193:69: + + 2193 | INTEGER :: handle, i_atom, i_global, i_kind, i_row, & + | ^~~~~~ +note: 'i_atom' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'commutator_rpnl.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_moments.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_moments.F qs_moments.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_commutators.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_commutators.F qs_commutators.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_moments.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_moments.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_commutators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_commutators.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_atom.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_subsys_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_subsys_methods.F cp_subsys_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_master.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/glbopt_master.F glbopt_master.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:02 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_commutators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_commutators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:02 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_moments.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_moments.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:02 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_subsys_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:02 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_master.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_master.F90 -/build/reproducible-path/cp2k-2025.1/src/hfx_ri.F:2456:55: +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_pot_saop.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_harris_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_rho_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_rho_methods.F qs_rho_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:51 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_rho_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_rho_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gpw_forces.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_direct_method.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_optimize_ri_basis.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_optimize_ri_basis.F mp2_optimize_ri_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_optimize_ri_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_optimize_ri_basis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'post_scf_bandstructure_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_commutators.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_im_time.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'averages_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_environment_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_environment_types.F md_environment_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:53 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_environment_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_environment_types.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F:942:48: - 2456 | ri_data%dbcsr_time = ri_data%dbcsr_time + t2 - t1 - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/hfx_ri.F:1803:77: + 942 | nzeroed = nzeroed + nzeroed_inner + | ^ +Warning: 'nzeroed' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F:911:89: - 1803 | REAL(dp) :: pref, spin_fac, t1, t2 - | ^~ -note: 't1' was declared here -/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:1637:53: + 911 | INTEGER :: i1, i2, i3, lb, n1, n2, n3, nzeroed, & + | ^~~~~~~ +note: 'nzeroed' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F:932:54: - 1637 | t_control%auto_basis_p_lri_aux = isize - | ^ -Warning: 'isize' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:1579:75: + 932 | nzeroed_inner = nzeroed_inner + 1 + | ^ +Warning: 'nzeroed_inner' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F:912:61: - 1579 | INTEGER :: handle, irep, isize, nrep - | ^~~~~ -note: 'isize' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:927:34: + 912 | nzeroed_inner, ub + | ^~~~~~~~~~~~~ +note: 'nzeroed_inner' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F:963:37: - 927 | DEALLOCATE (rs_single) - | ^ -Warning: 'rs_single.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:656:61: + 963 | bounds = bounds - (n3/2) - 1 + | ^ +Warning: 'ub' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_utils.F:912:76: - 656 | DIMENSION(:) :: rs_single, rs_single_charge, rs_single_dr - | ^~~~~~~~~ -note: 'rs_single.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:936:41: + 912 | nzeroed_inner, ub + | ^~ +note: 'ub' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_constraint_util.F:101:73: - 936 | DEALLOCATE (rs_single_charge) - | ^ -Warning: 'rs_single_charge.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:656:72: + 101 | INTEGER :: cind, first, first_atom, gind, handle, handle2, i, ii, itype, iw, j, k, k1loc, & + | ^~~~~ +Warning: 'itype' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_env_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_env_utils.F force_env_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_env_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_environment_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_conserved_quantities.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_conserved_quantities.F md_conserved_quantities.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'integrator_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/integrator_utils.F integrator_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'reftraj_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/reftraj_util.F reftraj_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'free_energy_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/free_energy_methods.F free_energy_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_callback.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/glbopt_callback.F glbopt_callback.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'wiener_process.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/wiener_process.F wiener_process.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_conserved_quantities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_conserved_quantities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' integrator_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/glbopt_callback.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' glbopt_callback.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/wiener_process.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' wiener_process.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/free_energy_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' free_energy_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/reftraj_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' reftraj_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_constraint_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'topology.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/topology.F topology.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:3217:13: - 656 | DIMENSION(:) :: rs_single, rs_single_charge, rs_single_dr - | ^~~~~~~~~~~~~~~~ -note: 'rs_single_charge.dim[0].ubound' was declared here + 3217 | IF (jatom == last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:3105:10: + + 3105 | last_jatom, lda, ldab, ldb, M_dim, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, sgfa, & + | ^~~~~~~~~~ +note: 'last_jatom' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:55 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"topology.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' topology.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_cdft_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_cdft_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F qs_cdft_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_control_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F cp_control_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_control_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_control_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_cdft_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_cdft_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_env_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:2244:51: + + 2244 | method = enum_i2c(enum, qs_control%method_id) + | 1 +Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:2249:69: + + 2249 | quadrature = enum_i2c(enum, qs_control%gapw_control%quadrature) + | 1 +Warning: CHARACTER expression will be truncated in assignment (20/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_callback.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho_methods.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mdctrl_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mdctrl_methods.F mdctrl_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kg_correction.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/kg_correction.F kg_correction.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_update_s_mstruct.o' due to: target does not exist @@ -61174,24 +61137,133 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_fxc.F qs_fxc.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dcdr_ao.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dcdr_ao.F qs_dcdr_ao.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mdctrl_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' mdctrl_methods.F90 +/build/reproducible-path/cp2k-2025.1/src/mp2_optimize_ri_basis.F:945:87: + + 945 | max_min_exp_per_l(1, la) = MAX(max_min_exp_per_l(1, la), exp_limits(1, ikind)) + | ^ +Warning: 'la' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_optimize_ri_basis.F:895:67: + + 895 | iset, la + | ^~ +note: 'la' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_correction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_correction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_update_s_mstruct.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_update_s_mstruct.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_wf_history_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_restart.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_restart.F90 +/build/reproducible-path/cp2k-2025.1/src/hfx_ri.F:2456:55: + + 2456 | ri_data%dbcsr_time = ri_data%dbcsr_time + t2 - t1 + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/hfx_ri.F:1803:77: + + 1803 | REAL(dp) :: pref, spin_fac, t1, t2 + | ^~ +note: 't1' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_types.F qs_tddfpt2_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kernel_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_kernel_methods.F qs_kernel_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"kg_correction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' kg_correction.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_densities.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_densities.F qs_tddfpt2_densities.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wf_history_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_wf_history_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_tb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fxc.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_propagation_utils.F rt_propagation_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_update_s_mstruct.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_update_s_mstruct.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_restart.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_restart.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dcdr_ao.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_fxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_fxc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_tb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kernel_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_densities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_densities.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'wiener_process.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_ri_grad.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:58 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dcdr_ao.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kernel_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kernel_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_densities.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_densities.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:17:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagation_utils.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:802:24: + + 802 | nders, nkind, nm, nmom_build, nseta, nsetb, sgfa, sgfb + | ^~ +Warning: 'nm' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:1024:91: + + 1024 | mab(i + na, j + nb, ii) = mab_tmp(i + nda, j + ndb, ii) + | ^ +Warning: 'mab.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:806:61: + + 806 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab + | ^~~ +note: 'mab.offset' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:1014:33: + + 1014 | mab = 0.0_dp + | ^ +Warning: 'mab.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:806:61: + + 806 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab + | ^~~ +note: 'mab.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:1024:91: + + 1024 | mab(i + na, j + nb, ii) = mab_tmp(i + nda, j + ndb, ii) + | ^ +Warning: 'mab.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:806:61: + + 806 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab + | ^~~ +note: 'mab.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:1024:91: + + 1024 | mab(i + na, j + nb, ii) = mab_tmp(i + nda, j + ndb, ii) + | ^ +Warning: 'mab.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:806:61: + + 806 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab + | ^~~ +note: 'mab.dim[2].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:1014:33: + + 1014 | mab = 0.0_dp + | ^ +Warning: 'mab.dim[2].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:806:61: + + 806 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab + | ^~~ +note: 'mab.dim[2].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:811:61: + + 811 | TYPE(block_p_type), ALLOCATABLE, DIMENSION(:, :) :: mom_block_der + | ^~~~~~~~~~~~~ +Warning: 'mom_block_der.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:811:61: Warning: 'mom_block_der.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:944:16: + + 944 | IF (jatom == last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:801:36: + + 801 | jatom, jkind, jpgf, jset, last_jatom, M_dim, maxco, maxsgf, na, nb, ncoa, ncob, nda, ndb, & + | ^~~~~~~~~~ +note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:2501:78: + + 2501 | i_val=ddapc_restraint_control%density_type) + | ^ +Warning: 'ddapc_section' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:2469:61: + + 2469 | TYPE(section_vals_type), POINTER :: ddapc_section + | ^~~~~~~~~~~~~ +note: 'ddapc_section' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'reftraj_util.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:3857:44: 3857 | d_sum_Pm_dR = 0.0_dp @@ -61423,63 +61495,70 @@ 3526 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight | ^~~~~~ note: 'weight.dim[0].stride' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagation_utils.F90 -/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:227:52: +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:669:16: - 227 | dft_control%auto_basis_ri_xas = isize - | ^ -Warning: 'isize' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:110:90: + 669 | IF (jatom == last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:569:88: - 110 | INTEGER :: admmtype, excitations, irep, isize, & - | ^~~~~ -note: 'isize' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_master.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_master.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_master.F swarm_master.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_master.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_master.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_commutators.mod' due to: target does not exist + 569 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & + | ^~~~~~~~~~ +note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_control_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_subsys_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp_subsys_methods.F cp_subsys_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_master.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/glbopt_master.F glbopt_master.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mdctrl_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_subsys_methods.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp_subsys_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_master.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_master.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_conserved_quantities.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eip_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eip_environment.F eip_environment.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'embed_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/embed_environment.F embed_environment.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_environment.F fist_environment.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_subsys_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_subsys_methods.F qs_subsys_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ipi_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ipi_environment.F ipi_environment.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_environment.F mixed_environment.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_environment.F nnp_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eip_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' embed_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_subsys_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_environment.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:927:34: + + 927 | DEALLOCATE (rs_single) + | ^ +Warning: 'rs_single.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:656:61: + + 656 | DIMENSION(:) :: rs_single, rs_single_charge, rs_single_dr + | ^~~~~~~~~ +note: 'rs_single.dim[0].ubound' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_update_s_mstruct.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_master.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fxc.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_densities.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:1163:61: +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:936:41: - 1163 | TYPE(pw_r3d_rs_type), DIMENSION(:), POINTER :: charge, rho_r - | ^~~~~~ -Warning: 'charge.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:1163:61: Warning: 'charge.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] + 936 | DEALLOCATE (rs_single_charge) + | ^ +Warning: 'rs_single_charge.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:656:72: + + 656 | DIMENSION(:) :: rs_single, rs_single_charge, rs_single_dr + | ^~~~~~~~~~~~~~~~ +note: 'rs_single_charge.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:1637:53: + + 1637 | t_control%auto_basis_p_lri_aux = isize + | ^ +Warning: 'isize' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:1579:75: + + 1579 | INTEGER :: handle, irep, isize, nrep + | ^~~~~ +note: 'isize' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:2299:10: + + 2299 | IF (my_com_nl) THEN + | ^ +Warning: 'my_com_nl' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:2248:61: + + 2248 | LOGICAL :: my_com_nl, my_velreprs + | ^~~~~~~~~ +note: 'my_com_nl' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_kernel_methods.F:123:83: 123 | dbcsr_dist=dbcsr_dist, sab=sab_orb) @@ -61490,71 +61569,129 @@ 88 | TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s, rho_ia_ao | ^~~~~~~~ note: 'matrix_s.data' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kernel_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:441:16: + + 441 | IF (jatom == last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:340:88: + + 340 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & + | ^~~~~~~~~~ +note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'free_energy_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_environment.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_optimize_ri_basis.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eip_environment.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_densities.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_main.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_main.F mixed_main.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ipi_environment.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kernel_methods.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_main.F90 -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:1250:91: - - 1250 | density_matrix(istate, ispin)%matrix, name="DENSITY_MATRIX") - | ^ -Warning: 'density_matrix.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:1169:61: +/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:227:52: - 1169 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & - | ^~~~~~~~~~~~~~ -note: 'density_matrix.offset' was declared here -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:1250:91: + 227 | dft_control%auto_basis_ri_xas = isize + | ^ +Warning: 'isize' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:110:90: - 1250 | density_matrix(istate, ispin)%matrix, name="DENSITY_MATRIX") - | ^ -Warning: 'density_matrix.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:1169:61: + 110 | INTEGER :: admmtype, excitations, irep, isize, & + | ^~~~~ +note: 'isize' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fxc.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_restart.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_wf_history_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:236:16: - 1169 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & - | ^~~~~~~~~~~~~~ -note: 'density_matrix.dim[0].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:1250:91: + 236 | IF (jatom == last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:134:10: - 1250 | density_matrix(istate, ispin)%matrix, name="DENSITY_MATRIX") - | ^ -Warning: 'density_matrix.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:1169:61: + 134 | last_jatom, lda, ldab, ldb, M_dim, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, sgfa, & + | ^~~~~~~~~~ +note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'integrator_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:1163:61: - 1169 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & - | ^~~~~~~~~~~~~~ -note: 'density_matrix.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'embed_environment.mod' due to: target does not exist + 1163 | TYPE(pw_r3d_rs_type), DIMENSION(:), POINTER :: charge, rho_r + | ^~~~~~ +Warning: 'charge.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:1163:61: Warning: 'charge.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_correction.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'embed_main.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/embed_main.F embed_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' embed_main.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_environment.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_master.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_wf_history_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_master.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_master.F swarm_master.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_master.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_master.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_control_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_subsys_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_moments.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pwdft_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pwdft_environment.F pwdft_environment.F90 -/build/reproducible-path/cp2k-2025.1/src/mixed_main.F:158:62: - - 158 | mixed_env%sub_logger(i)%p%iter_info%project_name = c_val - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:07 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pwdft_environment.F90 -/build/reproducible-path/cp2k-2025.1/src/embed_main.F:159:62: - - 159 | embed_env%sub_logger(i)%p%iter_info%project_name = c_val - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_subsys_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'efield_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/efield_utils.F efield_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_efield_berry.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_efield_berry.F qs_efield_berry.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' efield_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_efield_local.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_efield_local.F qs_efield_local.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dcdr_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dcdr_utils.F qs_dcdr_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'iao_analysis.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/iao_analysis.F iao_analysis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecular_moments.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/molecular_moments.F molecular_moments.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_methods.F qs_loc_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ec_efield_local.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ec_efield_local.F ec_efield_local.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_berry.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_efield_berry.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ex_property_calculation.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ex_property_calculation.F ex_property_calculation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_local.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_efield_local.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_util.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_util.F bse_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dcdr_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_vcd_ao.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F qs_vcd_ao.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ipi_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ipi_environment.F ipi_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iao_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' iao_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_moments.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molecular_moments.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_environment.F mixed_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'nnp_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/nnp_environment.F nnp_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_delta_pulse.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_delta_pulse.F rt_delta_pulse.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'eip_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/eip_environment.F eip_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_efield_local.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_efield_local.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'embed_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/embed_environment.F embed_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vcd_ao.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fist_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_environment.F fist_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ex_property_calculation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ex_property_calculation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_subsys_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_subsys_methods.F qs_subsys_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_stda_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_stda_utils.F qs_tddfpt2_stda_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"nnp_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' nnp_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_restart.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_restart.F qs_tddfpt2_restart.F90 /build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:434:78: 434 | dP_i_dRj(:, iatom, jatom) = ds_dR_j(:)/tmp_const @@ -61595,166 +61732,91 @@ 146 | INTEGER :: handle, i, iatom, igroup, ind(3), ip, j, & | ^~ note: 'ip' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:3217:13: - - 3217 | IF (jatom == last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:3105:10: - - 3105 | last_jatom, lda, ldab, ldb, M_dim, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, sgfa, & - | ^~~~~~~~~~ -note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_stda_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_stda_utils.F qs_tddfpt2_stda_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_restart.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_restart.F qs_tddfpt2_restart.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_smearing_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_smearing_methods.F qs_tddfpt2_smearing_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_properties.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_properties.F qs_tddfpt2_properties.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_soc_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_soc_utils.F qs_tddfpt2_soc_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_restart.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_utils.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:07 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_stda_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:07 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_smearing_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_smearing_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:07 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_soc_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:07 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_restart.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_restart.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_main.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_correction.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dcdr_ao.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/nnp_environment.F:260:61: - - 260 | unit_nr - | ^~~~~~~ -Warning: 'unit_nr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'embed_main.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pwdft_environment.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_cdft_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_apply_restraints.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_apply_restraints.F qs_ks_apply_restraints.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:09 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_apply_restraints.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_apply_restraints.F90 -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:3373:97: - - 3373 | ALLOCATE (req_total(COUNT(mixed_cdft%dlb_control%recv_work_repl) + 2*COUNT(touched))) - | ^ -Warning: 'touched.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:2736:83: - - 2736 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched - | ^~~~~~~ -note: 'touched.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:3421:13: - - 3421 | IF (ANY(mask_send)) THEN - | ^ -Warning: 'mask_send.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:2736:72: - - 2736 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched - | ^~~~~~~~~ -note: 'mask_send.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:3438:13: - - 3438 | IF (ANY(mask_recv)) THEN - | ^ -Warning: 'mask_recv.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:2736:61: - - 2736 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched - | ^~~~~~~~~ -note: 'mask_recv.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'nnp_environment.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_nnp.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_nnp.F helium_nnp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:09 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_nnp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_nnp.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:802:24: - - 802 | nders, nkind, nm, nmom_build, nseta, nsetb, sgfa, sgfb - | ^~ -Warning: 'nm' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:1024:91: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_delta_pulse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_delta_pulse.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"eip_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' eip_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_subsys_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_subsys_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' embed_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_stda_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_stda_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_restart.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_restart.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_smearing_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_smearing_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_properties.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_properties.F90 +/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:1250:91: - 1024 | mab(i + na, j + nb, ii) = mab_tmp(i + nda, j + ndb, ii) + 1250 | density_matrix(istate, ispin)%matrix, name="DENSITY_MATRIX") | ^ -Warning: 'mab.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:806:61: - - 806 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab - | ^~~ -note: 'mab.offset' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:1014:33: - - 1014 | mab = 0.0_dp - | ^ -Warning: 'mab.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:806:61: +Warning: 'density_matrix.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:1169:61: - 806 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab - | ^~~ -note: 'mab.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:1024:91: + 1169 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & + | ^~~~~~~~~~~~~~ +note: 'density_matrix.offset' was declared here +/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:1250:91: - 1024 | mab(i + na, j + nb, ii) = mab_tmp(i + nda, j + ndb, ii) + 1250 | density_matrix(istate, ispin)%matrix, name="DENSITY_MATRIX") | ^ -Warning: 'mab.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:806:61: +Warning: 'density_matrix.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:1169:61: - 806 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab - | ^~~ -note: 'mab.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:1024:91: + 1169 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & + | ^~~~~~~~~~~~~~ +note: 'density_matrix.dim[0].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:1250:91: - 1024 | mab(i + na, j + nb, ii) = mab_tmp(i + nda, j + ndb, ii) + 1250 | density_matrix(istate, ispin)%matrix, name="DENSITY_MATRIX") | ^ -Warning: 'mab.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:806:61: - - 806 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab - | ^~~ -note: 'mab.dim[2].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:1014:33: - - 1014 | mab = 0.0_dp - | ^ -Warning: 'mab.dim[2].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:806:61: - - 806 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: mab - | ^~~ -note: 'mab.dim[2].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:811:61: - - 811 | TYPE(block_p_type), ALLOCATABLE, DIMENSION(:, :) :: mom_block_der - | ^~~~~~~~~~~~~ -Warning: 'mom_block_der.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:811:61: Warning: 'mom_block_der.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:944:16: - - 944 | IF (jatom == last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:801:36: +Warning: 'density_matrix.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:1169:61: - 801 | jatom, jkind, jpgf, jset, last_jatom, M_dim, maxco, maxsgf, na, nb, ncoa, ncob, nda, ndb, & - | ^~~~~~~~~~ -note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_smearing_methods.mod' due to: target does not exist + 1169 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: density_matrix, density_matrix_diff, & + | ^~~~~~~~~~~~~~ +note: 'density_matrix.dim[1].stride' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:07 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_soc_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_restart.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_master.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_soc_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_subsys_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pwdft_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pwdft_environment.F pwdft_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'efield_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_velocity_gauge.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rt_propagation_velocity_gauge.F rt_propagation_velocity_gauge.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pwdft_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pwdft_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'embed_environment.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'embed_main.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/embed_main.F embed_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_velocity_gauge.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rt_propagation_velocity_gauge.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_environment.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mixed_main.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_main.F mixed_main.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ipi_environment.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"embed_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' embed_main.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eip_environment.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_environment.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mixed_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mixed_main.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_efield_local.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_cdft_methods.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_apply_restraints.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_apply_restraints.F qs_ks_apply_restraints.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_apply_restraints.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_apply_restraints.F90 /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_stda_utils.F:385:57: 385 | converged=converged) @@ -61765,125 +61827,33 @@ 349 | TYPE(dbcsr_type), POINTER :: sm_h, sm_s | ^~~~ note: 'sm_s' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_soc.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_soc.F qs_tddfpt2_soc.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:669:16: - - 669 | IF (jatom == last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:569:88: - - 569 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & - | ^~~~~~~~~~ -note: 'last_jatom' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:10 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_soc.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:2299:10: - - 2299 | IF (my_com_nl) THEN - | ^ -Warning: 'my_com_nl' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:2248:61: +/build/reproducible-path/cp2k-2025.1/src/mixed_main.F:158:62: - 2248 | LOGICAL :: my_com_nl, my_velreprs - | ^~~~~~~~~ -note: 'my_com_nl' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_apply_restraints.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_stda_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_nnp.mod' due to: target does not exist + 158 | mixed_env%sub_logger(i)%p%iter_info%project_name = c_val + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ec_efield_local.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:441:16: - - 441 | IF (jatom == last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:340:88: - - 340 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & - | ^~~~~~~~~~ -note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:236:16: - - 236 | IF (jatom == last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_moments.F:134:10: +/build/reproducible-path/cp2k-2025.1/src/embed_main.F:159:62: - 134 | last_jatom, lda, ldab, ldb, M_dim, maxsgf, natom, ncoa, ncob, nkind, nseta, nsetb, sgfa, & - | ^~~~~~~~~~ -note: 'last_jatom' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_post_tb.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_moments.mod' due to: target does not exist + 159 | embed_env%sub_logger(i)%p%iter_info%project_name = c_val + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ex_property_calculation.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'efield_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/efield_utils.F efield_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_efield_berry.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_efield_berry.F qs_efield_berry.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_efield_local.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_efield_local.F qs_efield_local.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dcdr_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dcdr_utils.F qs_dcdr_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'iao_analysis.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/iao_analysis.F iao_analysis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'molecular_moments.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/molecular_moments.F molecular_moments.F90 -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:2634:74: - - 2634 | my_work_size, natom, bo, bo_conf) - | ^ -Warning: 'my_work_size' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:2285:33: +/build/reproducible-path/cp2k-2025.1/src/nnp_environment.F:260:61: - 2285 | jatom, katom, my_work, my_work_size, natom, nforce_eval, nkind, np(3), npme, nthread, & - | ^~~~~~~~~~~~ -note: 'my_work_size' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_methods.F qs_loc_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ec_efield_local.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ec_efield_local.F ec_efield_local.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ex_property_calculation.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ex_property_calculation.F ex_property_calculation.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_util.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_util.F bse_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"efield_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' efield_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_vcd_ao.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F qs_vcd_ao.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_berry.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_efield_berry.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_efield_local.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_efield_local.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_properties.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_properties.F qs_tddfpt2_properties.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_delta_pulse.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_delta_pulse.F rt_delta_pulse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dcdr_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"iao_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' iao_analysis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"molecular_moments.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' molecular_moments.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_efield_local.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_efield_local.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ex_property_calculation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ex_property_calculation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_properties.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_properties.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vcd_ao.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_delta_pulse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_delta_pulse.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_ri.mod' due to: target does not exist + 260 | unit_nr + | ^~~~~~~ +Warning: 'unit_nr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecular_moments.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_ri_kp.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F hfx_ri_kp.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_fhxc_forces.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_fhxc_forces.F qs_tddfpt2_fhxc_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_fhxc_forces.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri_kp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_ri_kp.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'efield_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_smearing_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_velocity_gauge.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rt_propagation_velocity_gauge.F rt_propagation_velocity_gauge.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ex_property_calculation.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_restart.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ec_efield_local.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_stda_utils.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rt_propagation_velocity_gauge.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rt_propagation_velocity_gauge.F90 /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_properties.F:1154:4: 1154 | SUBROUTINE project_vector(vin, vout, mos_occ, matrix_s) @@ -61894,11 +61864,13 @@ 1203 | SUBROUTINE vec_product(va, vb, res) | ^~~~~~~~~~~~~~~~~~~~~~ Warning: 'vec_product' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecular_moments.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_main.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_efield_local.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_soc_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_soc.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_soc.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_soc.F qs_tddfpt2_soc.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_delta_pulse.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_efield_berry.F:687:77: @@ -61918,12 +61890,46 @@ 686 | REAL(dp), DIMENSION(:, :), POINTER :: cosab, iblock, rblock, sinab, work | ^~~~ note: 'work.data' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_delta_pulse.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:11 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_soc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_soc.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_main.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_main.F qs_loc_main.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pwdft_environment.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:11 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_main.F90 +/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:3373:97: + + 3373 | ALLOCATE (req_total(COUNT(mixed_cdft%dlb_control%recv_work_repl) + 2*COUNT(touched))) + | ^ +Warning: 'touched.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:2736:83: + + 2736 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched + | ^~~~~~~ +note: 'touched.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:3421:13: + + 3421 | IF (ANY(mask_send)) THEN + | ^ +Warning: 'mask_send.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:2736:72: + + 2736 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched + | ^~~~~~~~~ +note: 'mask_send.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:3438:13: + + 3438 | IF (ANY(mask_recv)) THEN + | ^ +Warning: 'mask_recv.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:2736:61: + + 2736 | LOGICAL, DIMENSION(:), POINTER :: mask_recv, mask_send, touched + | ^~~~~~~~~ +note: 'mask_recv.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'embed_main.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_properties.F:840:64: 840 | CALL sort(weights_neg_abs_recv, INT(nexcs), inds) @@ -61944,36 +61950,27 @@ 661 | weights_recv | ^~~~~~~~~~~~ note: 'weights_recv.dim[0].ubound' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:16 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_main.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dcdr_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_op.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_op.F qs_linres_op.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:17 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_op.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_op.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_cdft_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_apply_restraints.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_properties.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'nnp_environment.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:12 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_op.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_op.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_nnp.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_nnp.F helium_nnp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_nnp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_nnp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_post_tb.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_util.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_properties.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_properties.F bse_properties.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:18 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_properties.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_properties.F90 -/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:1690:3: - - 1690 | FUNCTION get_apc_index(a_index, c_index, qs_env) RESULT(i_index) - | ^ -Warning: 'get_apc_index' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:4641:4: - - 4641 | SUBROUTINE get_atom_3c_ints(t_3c_at, t_3c_ints, iatom, dim_at, idx_to_at) - | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ -Warning: 'get_atom_3c_ints' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_main.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_properties.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_properties.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_properties.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_states.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_states.F qs_loc_states.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_states.F90 /build/reproducible-path/cp2k-2025.1/src/qs_efield_berry.F:516:96: 516 | dcosab(:, :, i), dsinab(:, :, i), ldab, work, ldab) @@ -61994,11 +61991,42 @@ 2284 | kkind, na, natom, nb, nkind, np, slot | ^~~~~ note: 'natom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_main.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_nnp.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_loc_states.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_loc_states.F qs_loc_states.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_loc_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_loc_states.F90 +/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:2634:74: + + 2634 | my_work_size, natom, bo, bo_conf) + | ^ +Warning: 'my_work_size' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:2285:33: + + 2285 | jatom, katom, my_work, my_work_size, natom, nforce_eval, nkind, np(3), npme, nthread, & + | ^~~~~~~~~~~~ +note: 'my_work_size' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_ri.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_ri_kp.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F hfx_ri_kp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_fhxc_forces.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_fhxc_forces.F qs_tddfpt2_fhxc_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_ri_kp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_ri_kp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_fhxc_forces.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'iao_analysis.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_soc.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_efield_berry.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_properties.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_print.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_print.F bse_print.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:20 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_print.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_print.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_print.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_print.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_op.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_atom_current.o' due to: target does not exist @@ -62007,16 +62035,49 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_epr_ownutils.F qs_linres_epr_ownutils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_nmr_shift.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_nmr_shift.F qs_linres_nmr_shift.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_atom_current.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_atom_current.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_ownutils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_epr_ownutils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_shift.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_nmr_shift.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_efield_berry.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_atom_current.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_atom_current.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_ownutils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_epr_ownutils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_nmr_shift.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_nmr_shift.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_loc_states.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'localization_tb.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/localization_tb.F localization_tb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"localization_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' localization_tb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"localization_tb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' localization_tb.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1994:69: + + 1994 | !$ hash = MOD((iatom - 1)*natom + jatom, nlock) + 1 + | ^ +Warning: 'natom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1868:77: + + 1868 | kbc, kkind, na, natom, nb, nkind, np, & + | ^~~~~ +note: 'natom' was declared here +/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:1690:3: + + 1690 | FUNCTION get_apc_index(a_index, c_index, qs_env) RESULT(i_index) + | ^ +Warning: 'get_apc_index' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:4641:4: + + 4641 | SUBROUTINE get_atom_3c_ints(t_3c_at, t_3c_ints, iatom, dim_at, idx_to_at) + | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ +Warning: 'get_atom_3c_ints' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_print.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_full_diag.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_full_diag.F bse_full_diag.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_full_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_full_diag.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_cdft_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'localization_tb.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_epr_ownutils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_nmr_shift.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_full_diag.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_fhxc_forces.F:526:30: 526 | IF (do_analytic .AND. .NOT. do_numeric) THEN @@ -62037,36 +62098,9 @@ 176 | do_numeric, gapw, gapw_xc, hfx_treat_lsd_in_core, is_rks_triplets, s_mstruct_changed, & | ^~~~~~~~~~ note: 'do_numeric' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'iao_analysis.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_print.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_full_diag.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_full_diag.F bse_full_diag.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_full_diag.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_full_diag.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'localization_tb.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_epr_ownutils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_fhxc_forces.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1994:69: - - 1994 | !$ hash = MOD((iatom - 1)*natom + jatom, nlock) + 1 - | ^ -Warning: 'natom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1868:77: - - 1868 | kbc, kkind, na, natom, nb, nkind, np, & - | ^~~~~ -note: 'natom' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_nmr_shift.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_full_diag.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bse_main.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bse_main.F bse_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bse_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bse_main.F90 /build/reproducible-path/cp2k-2025.1/src/rt_propagation_velocity_gauge.F:146:56: 146 | CALL get_ks_env(ks_env=ks_env, kpoints=kpoints) @@ -62079,23 +62113,15 @@ note: 'ks_env' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_velocity_gauge.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_fhxc_forces.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bse_main.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_atom_current.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_current.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_current.F qs_linres_current.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:31 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_current.F90 -/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:3697:113: - - 3697 | tensor_dims=[1, SIZE(bsizes_RI_ext_split), batch_size*SIZE(ri_data%bsizes_AO_split)]) - | ^ -Warning: 'batch_size' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:3620:61: - - 3620 | INTEGER :: batch_size, handle, i_img, i_RI, i_spin, & - | ^~~~~~~~~~ -note: 'batch_size' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_current.F90 /build/reproducible-path/cp2k-2025.1/src/qs_linres_current.F:1289:37: 1289 | END FUNCTION encode_ardbmdarb_func @@ -62106,11 +62132,16 @@ 1262 | FUNCTION encode_ardbmdarb_func(idir, ir) RESULT(func) | ^ note: 'func' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_current.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'transport.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/transport.F transport.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' transport.F90 +/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:3697:113: + + 3697 | tensor_dims=[1, SIZE(bsizes_RI_ext_split), batch_size*SIZE(ri_data%bsizes_AO_split)]) + | ^ +Warning: 'batch_size' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:3620:61: + + 3620 | INTEGER :: batch_size, handle, i_img, i_RI, i_spin, & + | ^~~~~~~~~~ +note: 'batch_size' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1701:69: 1701 | !$ hash = MOD((iatom - 1)*natom + jatom, nlock) + 1 @@ -62121,6 +62152,11 @@ 1565 | kbc, kkind, na, natom, nb, nkind, np, & | ^~~~~ note: 'natom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_current.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'transport.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/transport.F transport.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"transport.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' transport.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'transport.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:319:69: @@ -62168,16 +62204,18 @@ 1100 | nsetb, nthread, sgfa, sgfb | ^~~~ note: 'sgfb' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vcd_ao.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_vcd_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vcd_utils.F qs_vcd_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vcd_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_ri_kp.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_admm_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_admm_utils.F hfx_admm_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_admm_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_admm_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vcd_ao.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:18:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_admm_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_admm_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vcd_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_vcd_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vcd_utils.F qs_vcd_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vcd_utils.F90 /build/reproducible-path/cp2k-2025.1/src/hfx_admm_utils.F:1397:31: 1397 | energy%ex = ehfx + ehfxrt @@ -62228,19 +62266,16 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ed_analysis.F ed_analysis.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_operators.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_operators.F qs_tddfpt2_operators.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rtp_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rtp_admm_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ed_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ed_analysis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:55 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_operators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_operators.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vcd_utils.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rtp_admm_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rtp_admm_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_operators.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_operators.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ed_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ed_analysis.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rtp_admm_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_operators.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_fhxc.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_fhxc.F qs_tddfpt2_fhxc.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Wed Sep 10 23:59:59 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_fhxc.F90 /build/reproducible-path/cp2k-2025.1/src/qs_ks_utils.F:1377:67: 1377 | csign*cdft_control%strength(igroup)) @@ -62251,6 +62286,7 @@ 1269 | REAL(KIND=dp) :: csign, dvol, fadm | ^~~~~ note: 'csign' was declared here +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fhxc.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_fhxc.F90 /build/reproducible-path/cp2k-2025.1/src/qs_ks_utils.F:841:56: 841 | full_scaling = -dft_control%sic_scaling_a*nelec @@ -62291,11 +62327,11 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_ks_methods.F qs_ks_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_fhxc.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ed_analysis.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_fhxc.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_energy_init.o' due to: target does not exist @@ -62318,19 +62354,19 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_post_se.F qs_scf_post_se.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_epr_nablavks.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_epr_nablavks.F qs_linres_epr_nablavks.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_init.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_correction.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_correction.F xas_tdp_correction.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_basis_gradient.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_diagonalization.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_diagonalization.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_electric_field_gradient.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_electric_field_gradient.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_properties.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_local_properties.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_reference.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_reference.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kpp1_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_qs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_se.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_se.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_nablavks.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_epr_nablavks.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_correction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_correction.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_basis_gradient.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_basis_gradient.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_ks_reference.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_ks_reference.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_electric_field_gradient.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_electric_field_gradient.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_init.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_diagonalization.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_diagonalization.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_local_properties.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_local_properties.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_kpp1_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_kpp1_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_qs.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_se.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_se.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_epr_nablavks.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_epr_nablavks.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_correction.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_correction.F90 /build/reproducible-path/cp2k-2025.1/src/qs_electric_field_gradient.F:99:61: 99 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: efg_pw, efg_tensor @@ -62348,6 +62384,13 @@ 130 | nblkrows_tot, nlength, nmols, row | ^~~~~~~ note: 'nlength' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_electric_field_gradient.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_basis_gradient.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_outer_scf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_outer_scf.F qs_outer_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_outer_scf.F90 /build/reproducible-path/cp2k-2025.1/src/almo_scf_qs.F:1308:63: 1308 | rvdw=contact1_radius) @@ -62388,13 +62431,26 @@ 860 | distance, distance_squared, overlap, & | ^~~~~~~ note: 'overlap' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_basis_gradient.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_reference.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_electric_field_gradient.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_exx.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_exx.F hfx_exx.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_forces.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_forces.F qs_tddfpt2_forces.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_exx.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_exx.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_forces.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_epr_nablavks.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_outer_scf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_outer_scf.F qs_outer_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_outer_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_outer_scf.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_post_se.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_energy_init.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kpp1_env_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optbas_fenv_manipulation.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optbas_fenv_manipulation.F optbas_fenv_manipulation.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_p_env_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_p_env_methods.F qs_p_env_methods.F90 /build/reproducible-path/cp2k-2025.1/src/xas_tdp_correction.F:516:46: 516 | nbatch_occ = MAX(1, nblk_occ/batch_size) @@ -62415,33 +62471,13 @@ 467 | max_iter, nbatch_occ, nbatch_virt, nblk_occ, nblk_virt, nblks(3), ndo_mo, nhomo, nlumo, & | ^~~~~~~~~ note: 'nblk_virt' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_reference.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_post_se.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_forces.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_forces.F qs_tddfpt2_forces.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hfx_exx.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_exx.F hfx_exx.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"hfx_exx.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' hfx_exx.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_forces.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_forces.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_energy_init.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_fenv_manipulation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optbas_fenv_manipulation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_p_env_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_qs.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_epr_nablavks.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optbas_fenv_manipulation.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optbas_fenv_manipulation.F optbas_fenv_manipulation.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kpp1_env_methods.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf_optimizer.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf_optimizer.F almo_scf_optimizer.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_p_env_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_p_env_methods.F qs_p_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optbas_fenv_manipulation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optbas_fenv_manipulation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_p_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_p_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:12 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf_optimizer.F90 /build/reproducible-path/cp2k-2025.1/src/qs_outer_scf.F:482:44: 482 | ddapc_restraint_control%strength @@ -62452,6 +62488,11 @@ 453 | TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control | ^~~~~~~~~~~~~~~~~~~~~~~ note: 'ddapc_restraint_control' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_diagonalization.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mom_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mom_methods.F qs_mom_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mom_methods.F90 /build/reproducible-path/cp2k-2025.1/src/qs_outer_scf.F:415:88: 415 | ddapc_restraint_control%strength = scf_env%outer_scf%variables(1, ihistory + 1) @@ -62462,11 +62503,13 @@ 395 | TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control | ^~~~~~~~~~~~~~~~~~~~~~~ note: 'ddapc_restraint_control' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_diagonalization.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optbas_fenv_manipulation.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mom_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mom_methods.F qs_mom_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:14 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mom_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mom_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_exx.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_rse.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_rse.F rpa_rse.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_rse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_rse.F90 /build/reproducible-path/cp2k-2025.1/src/almo_scf_optimizer.F:3222:4: 3222 | SUBROUTINE split_v_blk(almo_scf_env) @@ -62492,25 +62535,16 @@ 111 | TYPE(ddapc_restraint_type), POINTER :: ddapc_restraint_control | ^~~~~~~~~~~~~~~~~~~~~~~ note: 'ddapc_restraint_control' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optbas_fenv_manipulation.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mom_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_outer_scf.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_environment_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_environment_methods.F qs_environment_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_environment_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_exx.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_rse.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_rse.F rpa_rse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:16 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_rse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_rse.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mom_methods.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_loop_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_loop_utils.F qs_scf_loop_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_correction.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:16 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_loop_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_loop_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_environment_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_loop_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_loop_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_p_env_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_kernel.o' due to: target does not exist @@ -62519,9 +62553,19 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_2nd_kernel_ao.F qs_2nd_kernel_ao.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt_utils.F qs_tddfpt_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:16 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_kernel.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:16 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_2nd_kernel_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_2nd_kernel_ao.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:16 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_kernel.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_kernel.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_2nd_kernel_ao.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_2nd_kernel_ao.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:36 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_utils.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_forces.F:765:53: + + 765 | total_rho=rhotot) + | ^ +Warning: 'trho_xc_g.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_forces.F:677:61: + + 677 | trho_xc_g + | ^~~~~~~~~ +note: 'trho_xc_g.data' was declared here /build/reproducible-path/cp2k-2025.1/src/almo_scf_optimizer.F:7374:34: 7374 | my_numer = my_numer + num @@ -62542,35 +62586,27 @@ 7285 | REAL(KIND=dp) :: den, kappa, my_denom, my_numer, & | ^~~ note: 'den' declared here -/build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_forces.F:765:53: - - 765 | total_rho=rhotot) - | ^ -Warning: 'trho_xc_g.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_forces.F:677:61: - - 677 | trho_xc_g - | ^~~~~~~~~ -note: 'trho_xc_g.data' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_environment_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_correction.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_rse.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_environment.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_environment.F qs_environment.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:18 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_environment.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt_eigensolver.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt_eigensolver.F qs_tddfpt_eigensolver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:18 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_eigensolver.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_environment_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_environment.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_environment.F qs_environment.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_forces.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_2nd_kernel_ao.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_eigensolver.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_cphf.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_cphf.F mp2_cphf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_cphf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_cphf.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_rse.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_forces.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_environment.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_environment.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_cphf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_cphf.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_loop_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt_eigensolver.F:292:19: @@ -62587,13 +62623,15 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt_module.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt_module.F qs_tddfpt_module.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_module.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_module.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt_module.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt_module.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_kernel.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ec_orth_solver.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ec_orth_solver.F ec_orth_solver.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_methods.F qs_linres_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_orth_solver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_orth_solver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_methods.F90 /build/reproducible-path/cp2k-2025.1/src/almo_scf_optimizer.F:2326:60: 2326 | filter_eps=eps_filter) @@ -62625,8 +62663,6 @@ 2046 | TYPE(dbcsr_type), ALLOCATABLE, DIMENSION(:, :, :) :: m_B0 | ^~~~ Warning: 'm_b0.offset' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:22 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ec_orth_solver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ec_orth_solver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:22 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt_module.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/mp2_cphf.F:1238:99: @@ -62719,6 +62755,31 @@ 891 | line_search_error, localiz_coeff, localization_obj_function, next_step_size_guess, & | ^~~~~~~~~~~~~~~~~~~~ note: 'next_step_size_guess' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ec_orth_solver.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'response_solver.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/response_solver.F response_solver.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dcdr.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dcdr.F qs_dcdr.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_current_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_current_utils.F qs_linres_current_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_issc_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_issc_utils.F qs_linres_issc_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_polar_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_polar_utils.F qs_linres_polar_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mfp.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mfp.F qs_mfp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_vcd.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vcd.F qs_vcd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dcdr.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"response_solver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' response_solver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_current_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_issc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_issc_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_polar_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_polar_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vcd.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:46 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mfp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mfp.F90 /build/reproducible-path/cp2k-2025.1/src/qs_environment.F:1347:87: 1347 | dispersion_env%parameter_file_name = dftb_control%dispersion_parameter_file @@ -62744,22 +62805,16 @@ 1450 | dispersion_env%parameter_file_name = se_control%dispersion_parameter_file | 1 Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ec_orth_solver.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'response_solver.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/response_solver.F response_solver.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_dcdr.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_dcdr.F qs_dcdr.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_current_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_current_utils.F qs_linres_current_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_issc_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_issc_utils.F qs_linres_issc_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_polar_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_polar_utils.F qs_linres_polar_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_mfp.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_mfp.F qs_mfp.F90 +/build/reproducible-path/cp2k-2025.1/src/mp2_cphf.F:518:41: + + 518 | mp2_env%p_screen = restore_p_screen + | ^ +Warning: 'restore_p_screen' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_cphf.F:178:77: + + 178 | do_exx, do_hfx, restore_p_screen + | ^~~~~~~~~~~~~~~~ +note: 'restore_p_screen' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_environment.F:1334:42: 1334 | IF (dftb_control%dispersion .AND. dftb_control%dispersion_type == dispersion_d3) THEN @@ -62780,37 +62835,6 @@ 647 | TYPE(xtb_control_type), POINTER :: xtb_control | ^~~~~~~~~~~ note: 'xtb_control' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_vcd.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_vcd.F qs_vcd.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_dcdr.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_dcdr.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"response_solver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' response_solver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_current_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_current_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_polar_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_polar_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_mfp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_mfp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_issc_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_issc_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_vcd.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_vcd.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_optimizer.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/mp2_cphf.F:518:41: - - 518 | mp2_env%p_screen = restore_p_screen - | ^ -Warning: 'restore_p_screen' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_cphf.F:178:77: - - 178 | do_exx, do_hfx, restore_p_screen - | ^~~~~~~~~~~~~~~~ -note: 'restore_p_screen' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_environment.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_eht_guess.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_eht_guess.F qs_eht_guess.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_create.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_create.F qmmm_create.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_eht_guess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_eht_guess.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_create.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_cphf.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/qs_mfp.F:1348:13: 1348 | IF (jatom == last_jatom) THEN @@ -62821,15 +62845,27 @@ 1270 | jatom, jkind, last_jatom, mepos, & | ^~~~~~~~~~ note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_cphf.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_optimizer.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_polar_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_energies.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_energies.F md_energies.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:28 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_energies.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_energies.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dcdr.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_energies.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_energies.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_environment.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_eht_guess.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_eht_guess.F qs_eht_guess.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_create.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_create.F qmmm_create.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_vcd.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_eht_guess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_eht_guess.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_create.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_create.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dcdr.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_mfp.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_linres_current_utils.F:1131:56: @@ -62842,23 +62878,14 @@ 574 | istate, istate2, istate_next, ix, iy, iz, j, jstate, k, max_nbr_center, max_states, n, & | ^~~~~~~~~~~ note: 'istate_next' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_eht_guess.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_issc_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_initial_guess.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_initial_guess.F qs_initial_guess.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_create.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmmx_create.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmmx_create.F qmmmx_create.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmmx_update.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmmx_update.F qmmmx_update.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_initial_guess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_initial_guess.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_create.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_create.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:29 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_update.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_update.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_issc_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmmx_create.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/motion/md_energies.F:370:46: 370 | (simpar%v0 - cell%deth) @@ -62869,33 +62896,24 @@ 265 | pv_scalar, pv_xx, pv_xx_nc | ^~~~~~~~ note: 'pv_xx_nc' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmmx_update.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_energies.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_eht_guess.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_create.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_create.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_update.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_update.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_initial_guess.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_initial_guess.F qs_initial_guess.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_initial_guess.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_initial_guess.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_current_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_module.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_linres_module.F qs_linres_module.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_module.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_module.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_initial_guess.F:462:13: - - 462 | IF (not_read > 1) THEN - | ^ -Warning: 'not_read' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_initial_guess.F:139:64: - - 139 | natoms, natoms_tmp, nblocks, nelectron, nmo, nmo_tmp, not_read, nsgf, nspin, nvec, ounit, & - | ^~~~~~~~ -note: 'not_read' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_initial_guess.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_energies.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:52 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_linres_module.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_linres_module.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmmx_create.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmmx_update.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_qs.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_qs.F dm_ls_scf_qs.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_initialization.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_initialization.F qs_scf_initialization.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_qs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_initialization.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_initialization.F90 /build/reproducible-path/cp2k-2025.1/src/response_solver.F:882:72: 882 | TYPE(pw_r3d_rs_type), DIMENSION(:), POINTER :: rho_r_aux, rho_r_gs, rho_r_t, rhoz_r, & @@ -62936,8 +62954,31 @@ 842 | eps_ppnl, exc, exc_aux_fit, fconv, & | ^~~~~~~~~~~ note: 'exc_aux_fit' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_initial_guess.F:462:13: + + 462 | IF (not_read > 1) THEN + | ^ +Warning: 'not_read' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_initial_guess.F:139:64: + + 139 | natoms, natoms_tmp, nblocks, nelectron, nmo, nmo_tmp, not_read, nsgf, nspin, nvec, ounit, & + | ^~~~~~~~ +note: 'not_read' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_module.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_initial_guess.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_qs.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_qs.F dm_ls_scf_qs.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_initialization.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_initialization.F qs_scf_initialization.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_qs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_qs.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:19:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_initialization.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_initialization.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'response_solver.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'excited_states.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/excited_states.F excited_states.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"excited_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' excited_states.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf_qs.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_chebyshev.o' due to: target does not exist @@ -62948,10 +62989,10 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_methods.F dm_ls_scf_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pexsi_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pexsi_methods.F pexsi_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:37 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_chebyshev.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_chebyshev.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:37 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:37 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:37 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pexsi_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_chebyshev.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_chebyshev.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:01 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pexsi_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pexsi_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_initialization.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_gamma2kp.o' due to: target does not exist @@ -62972,7 +63013,9 @@ | ^~~~~~~~~ Warning: 'aitchev_t.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/dm_ls_chebyshev.F:119:61: Warning: 'aitchev_t.offset' may be used uninitialized [-Wmaybe-uninitialized] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:39 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gamma2kp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gamma2kp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:02 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_gamma2kp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_gamma2kp.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'excited_states.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_methods.F:899:56: 899 | xi = (scaled_homo_bound - scaled_lumo_bound) @@ -62993,17 +63036,12 @@ 752 | mu_a, mu_b, mu_c, mu_fa, mu_fc, occ_matrix, scaled_homo_bound, scaled_lumo_bound, t1, t2, & | ^~~~~~~~~~~~~~~~~ note: 'scaled_lumo_bound' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pexsi_methods.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_chebyshev.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'response_solver.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pexsi_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'excited_states.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/excited_states.F excited_states.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:39 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"excited_states.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' excited_states.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_param_equi.o' due to: target does not exist @@ -63014,34 +63052,32 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_param_gth.F pao_param_gth.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_param_linpot.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_param_linpot.F pao_param_linpot.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_equi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_equi.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_exp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_gth.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_gth.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_linpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_linpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_equi.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_equi.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_gth.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_gth.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_linpot.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_linpot.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:04 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param_exp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param_exp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gamma2kp.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_wannier90.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_wannier90.F qs_wannier90.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_band_structure.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_band_structure.F qs_band_structure.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wannier90.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_wannier90.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_band_structure.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_band_structure.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'excited_states.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_gth.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_wannier90.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_wannier90.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:05 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_band_structure.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_band_structure.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_band_structure.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_gw_kpoints_util.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_gw_kpoints_util.F rpa_gw_kpoints_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_kpoints_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_kpoints_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_kpoints_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_kpoints_util.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_gth.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_exp.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_wannier90.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_post_gpw.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_post_gpw.F qs_scf_post_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_gpw.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_exp.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:09 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_gpw.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_linpot.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/rpa_gw_kpoints_util.F:638:4: @@ -63054,6 +63090,11 @@ 669 | SUBROUTINE release_dummys(tj_dummy, tau_tj_dummy, weights_cos_tf_w_to_t_dummy) | ^~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'release_dummys' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_equi.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_param.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_param.F pao_param.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:11 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param.F90 /build/reproducible-path/cp2k-2025.1/src/rpa_gw_kpoints_util.F:1375:73: 1375 | integral = integral + weight*k_sq**(exp_kpoints*0.5_dp) @@ -63064,11 +63105,11 @@ 1284 | REAL(KIND=dp) :: exp_kpoints, integral, k_sq, weight | ^~~~~~~~~~~ note: 'exp_kpoints' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_equi.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_param.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_param.F pao_param.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_param.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_param.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_io.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_io.F pao_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_io.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw_kpoints_util.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_ri_2c.o' due to: target does not exist @@ -63077,32 +63118,32 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_util.F rpa_util.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_gw.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_gw.F rpa_gw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:47 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_2c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_2c.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:47 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:47 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_ri_2c.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_ri_2c.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_io.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_io.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_io.F pao_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:48 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_io.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_ml.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_ml.F pao_ml.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_util.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_exchange.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_exchange.F rpa_exchange.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_grad.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_grad.F rpa_grad.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:50 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_exchange.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_exchange.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:50 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_grad.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_grad.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_io.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_exchange.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_exchange.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_grad.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_grad.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_ml.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_ml.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_ml.F pao_ml.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_ml.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_ml.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_methods.F pao_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_ri_2c.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_integrals.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_integrals.F mp2_integrals.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_integrals.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_integrals.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_integrals.F90 /build/reproducible-path/cp2k-2025.1/src/rpa_exchange.F:936:106: 936 | CALL para_env%sendrecv(send_virt_indices(1:virt_counter), send_proc, recv_row_indices, recv_proc) @@ -63115,21 +63156,6 @@ note: 'virt_counter' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_exchange.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_ml.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_methods.F pao_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_methods.F90 -/build/reproducible-path/cp2k-2025.1/src/qs_scf_post_gpw.F:767:13: - - 767 | IF (compute_lumos) THEN - | ^ -Warning: 'compute_lumos' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_scf_post_gpw.F:249:31: - - 249 | LOGICAL :: check_write, compute_lumos, do_homo, do_kpoints, do_mixed, do_mo_cubes, do_stm, & - | ^~~~~~~~~~~~~ -note: 'compute_lumos' was declared here /build/reproducible-path/cp2k-2025.1/src/pao_methods.F:804:32: 804 | block_X(i, j) = old_Xij @@ -63150,22 +63176,45 @@ 699 | REAL(dp) :: delta, delta_max, eps, Gij_num | ^~~~~~~ note: 'gij_num' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_main.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_main.F pao_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_main.F90 +/build/reproducible-path/cp2k-2025.1/src/qs_scf_post_gpw.F:767:13: + + 767 | IF (compute_lumos) THEN + | ^ +Warning: 'compute_lumos' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_scf_post_gpw.F:249:31: + + 249 | LOGICAL :: check_write, compute_lumos, do_homo, do_kpoints, do_mixed, do_mo_cubes, do_stm, & + | ^~~~~~~~~~~~~ +note: 'compute_lumos' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_post_gpw.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_post_scf.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf_post_scf.F qs_scf_post_scf.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_utils.F qs_tddfpt2_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_scf.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_output.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_propagation_output.F rt_propagation_output.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf_post_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf_post_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagation_output.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_main.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_main.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_main.F pao_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:00:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"pao_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' pao_main.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_create.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_create.F dm_ls_scf_create.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_output.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagation_output.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:28 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_create.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_create.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_post_scf.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf.F almo_scf.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf.F qs_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf.F90 /build/reproducible-path/cp2k-2025.1/src/mp2_integrals.F:910:39: 910 | END SUBROUTINE mp2_ri_gpw_compute_in @@ -63176,27 +63225,6 @@ 287 | DIMENSION(:) :: intermed_mat, intermed_mat_gw | ^~~~~~~~~~~~~~~ note: 'intermed_mat_gw.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/rpa_grad.F:1172:27: - - 1172 | procs_recv(:) = -1 - | ^ -Warning: 'procs_recv.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rpa_grad.F:1015:61: - - 1015 | INTEGER, ALLOCATABLE, DIMENSION(:) :: procs_recv - | ^~~~~~~~~~ -note: 'procs_recv.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_post_scf.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_scf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/almo_scf.F almo_scf.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_scf.F qs_scf.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_main.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf_create.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_create.F dm_ls_scf_create.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"almo_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' almo_scf.F90 /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_utils.F:974:93: 974 | nstates_selected = DOT_PRODUCT(nmo_occ_selected(1:nspins), nmo_virt_selected(1:nspins)) @@ -63217,25 +63245,31 @@ 945 | INTEGER, DIMENSION(maxspins) :: nmo_occ_avail, nmo_occ_selected, & | ^~~~~~~~~~~~~~~~ note: 'nmo_occ_selected' declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:00 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf_create.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf_create.F90 /build/reproducible-path/cp2k-2025.1/src/emd/rt_propagation_output.F:742:18: 742 | stride = section_get_ivals(dft_section, "REAL_TIME_PROPAGATION%PRINT%CURRENT%STRIDE") | 1 Warning: POINTER-valued function appears on right-hand side of assignment at (1) [-Wsurprising] +/build/reproducible-path/cp2k-2025.1/src/rpa_grad.F:1172:27: + + 1172 | procs_recv(:) = -1 + | ^ +Warning: 'procs_recv.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rpa_grad.F:1015:61: + + 1015 | INTEGER, ALLOCATABLE, DIMENSION(:) :: procs_recv + | ^~~~~~~~~~ +note: 'procs_recv.dim[0].ubound' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_eigensolver.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_eigensolver.F qs_tddfpt2_eigensolver.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_integrals.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:02 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_eigensolver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:33 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_eigensolver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_eigensolver.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_output.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_propagation_methods.F rt_propagation_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:02 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagation_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagation_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagation_methods.F90 /build/reproducible-path/cp2k-2025.1/src/rpa_gw.F:4868:55: 4868 | energy_val = qp_energy - e_fermi - hedin_shift @@ -63256,18 +63290,20 @@ 4344 | level_energ_GW_start, omega, & | ^~~~~~~~~~~~~~~~~~~~ note: 'level_energ_gw_start' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_grad.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf_create.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf.F dm_ls_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:35 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_integrals.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/rpa_gw.F:3785:30: 3785 | INTEGER :: degeneracy, first_degenerate_level, i_deg_level, i_level_gw, j_deg_level, jquad, & | ^~~~~~~~~~~~~~~~~~~~~~ Warning: 'first_degenerate_level' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf_create.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_grad.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_scf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf.F dm_ls_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"dm_ls_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' dm_ls_scf.F90 /build/reproducible-path/cp2k-2025.1/src/qs_scf.F:1652:34: 1652 | alpha = alpha_ls @@ -63282,14 +63318,29 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagator_init.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_propagator_init.F rt_propagator_init.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagator_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagator_init.F90 +/build/reproducible-path/cp2k-2025.1/src/dm_ls_scf.F:664:63: + + 664 | extra_scf = maxscf_reached .OR. scf_converged + | ^ +Warning: 'scf_converged' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/dm_ls_scf.F:482:10: + + 482 | scf_converged, should_stop, transm_maxscf_reached, transm_scf_converged + | ^~~~~~~~~~~~~ +note: 'scf_converged' was declared here +/build/reproducible-path/cp2k-2025.1/src/dm_ls_scf.F:664:63: + + 664 | extra_scf = maxscf_reached .OR. scf_converged + | ^ +Warning: 'maxscf_reached' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/dm_ls_scf.F:481:73: + + 481 | LOGICAL :: check_convergence, diis_step, do_transport, extra_scf, maxscf_reached, & + | ^~~~~~~~~~~~~~ +note: 'maxscf_reached' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_eigensolver.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_gw_sigma_x.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_gw_sigma_x.F rpa_gw_sigma_x.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_sigma_x.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_sigma_x.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_propagator_init.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_propagator_init.F90 /build/reproducible-path/cp2k-2025.1/src/qs_scf.F:293:45: 293 | scf_control%max_scf = max_scf_tmp @@ -63310,6 +63361,14 @@ 204 | LOGICAL :: converged, outer_scf_loop, should_stop | ^~~~~~~~~~~~~~ note: 'outer_scf_loop' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_gw_sigma_x.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_gw_sigma_x.F rpa_gw_sigma_x.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'energy_corrections.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/energy_corrections.F energy_corrections.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_fprint.o' due to: target does not exist @@ -63318,31 +63377,14 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tip_scan_methods.F tip_scan_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tp_scf.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tp_scf.F xas_tp_scf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:07 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fprint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_fprint.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:07 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' tip_scan_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:07 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tp_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tp_scf.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagator_init.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/dm_ls_scf.F:664:63: - - 664 | extra_scf = maxscf_reached .OR. scf_converged - | ^ -Warning: 'scf_converged' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/dm_ls_scf.F:482:10: - - 482 | scf_converged, should_stop, transm_maxscf_reached, transm_scf_converged - | ^~~~~~~~~~~~~ -note: 'scf_converged' was declared here -/build/reproducible-path/cp2k-2025.1/src/dm_ls_scf.F:664:63: - - 664 | extra_scf = maxscf_reached .OR. scf_converged - | ^ -Warning: 'maxscf_reached' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/dm_ls_scf.F:481:73: - - 481 | LOGICAL :: check_convergence, diis_step, do_transport, extra_scf, maxscf_reached, & - | ^~~~~~~~~~~~~~ -note: 'maxscf_reached' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_nonscf.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_nonscf.F qs_nonscf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nonscf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_nonscf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tip_scan_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' tip_scan_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_fprint.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_fprint.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:42 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tp_scf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tp_scf.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"energy_corrections.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' energy_corrections.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_gw_sigma_x.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_gw_sigma_x.F90 /build/reproducible-path/cp2k-2025.1/src/tip_scan_methods.F:100:83: 100 | logger%iter_info%project_name = logger%iter_info%project_name//"+TIP_SCAN" @@ -63350,16 +63392,12 @@ Warning: CHARACTER expression will be truncated in assignment (80/89) at (1) [-Wcharacter-truncation] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dm_ls_scf.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagator_init.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'energy_corrections.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/energy_corrections.F energy_corrections.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_nonscf.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_nonscf.F qs_nonscf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:09 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_nonscf.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_nonscf.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:09 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"energy_corrections.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' energy_corrections.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tip_scan_methods.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_nonscf.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/rpa_gw_sigma_x.F:384:13: 384 | IF (charge_constrain_tmp) THEN @@ -63434,15 +63472,13 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_tddfpt2_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_methods.F qs_tddfpt2_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw_sigma_x.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_tddfpt2_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_tddfpt2_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tp_scf.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_methods.F xas_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_nonscf.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw_sigma_x.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_methods.F:389:40: @@ -63460,7 +63496,9 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_tdp_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/xas_tdp_methods.F xas_tdp_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:01:16 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:20:56 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"xas_tdp_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' xas_tdp_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'energy_corrections.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/xas_tdp_methods.F:1528:41: 1528 | ALLOCATE (my_mos(n_states, nspins)) @@ -63471,8 +63509,6 @@ 1469 | n_search, n_states, nao, ndo_so, nj, & | ^~~~~~~~ note: 'n_states' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'energy_corrections.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/xas_tdp_methods.F:2080:28: 2080 | ndo_so = ndo_mo*nspins @@ -63593,7 +63629,7 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_im_time_force_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F rpa_im_time_force_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:02:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_im_time_force_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:21:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_im_time_force_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_im_time_force_methods.F90 /build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2758:50: 2758 | col_dist(jatom) = MODULO(jatom, pdims(2)) @@ -63618,12 +63654,12 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_main.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/rpa_main.F rpa_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:02:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:21:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"rpa_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' rpa_main.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_main.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_gpw.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mp2_gpw.F mp2_gpw.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:02:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_gpw.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2_gpw.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2_gpw.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_gpw.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2.o' due to: target does not exist @@ -63632,9 +63668,9 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_active_space_methods.F qs_active_space_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_utils.F gw_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:02:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:02:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_active_space_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:02:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mp2.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mp2.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_active_space_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_active_space_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_utils.F90 /build/reproducible-path/cp2k-2025.1/src/gw_utils.F:1209:69: 1209 | my_local=.FALSE.) @@ -63645,13 +63681,13 @@ 2290 | SUBROUTINE setup_kpoints_scf_desymm(qs_env, bs_env, kpoints, do_print) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'setup_kpoints_scf_desymm' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/qs_active_space_methods.F:2533:4: 2533 | SUBROUTINE create_pro_basis(pro_basis_set, zval, ishell, nshell, lnam) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'create_pro_basis' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/gw_utils.F:1784:40: 1784 | E_min = MIN(E_min, E_min_ispin) @@ -63754,8 +63790,8 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_large_cell_gamma.F gw_large_cell_gamma.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_small_cell_full_kp.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_small_cell_full_kp.F gw_small_cell_full_kp.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:02:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_large_cell_gamma.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_large_cell_gamma.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:02:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_small_cell_full_kp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_small_cell_full_kp.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_large_cell_gamma.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_large_cell_gamma.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_small_cell_full_kp.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_small_cell_full_kp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_active_space_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/gw_large_cell_gamma.F:1303:4: @@ -63781,44 +63817,44 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/gw_main.F gw_main.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_bse_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_bse_types.F rt_bse_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:02 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:02 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_bse_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_bse_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"gw_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' gw_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:30 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_bse_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_bse_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_main.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'post_scf_bandstructure_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_methods.F post_scf_bandstructure_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' post_scf_bandstructure_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:32 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"post_scf_bandstructure_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' post_scf_bandstructure_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'post_scf_bandstructure_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_energy_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_energy_utils.F qs_energy_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_bse_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_bse_io.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_bse_io.F rt_bse_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_bse_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_bse_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_bse_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_bse_io.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_energy_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_energy.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_energy.F qs_energy.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_energy.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_energy.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_bse_io.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_energy.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_force.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_force.F qs_force.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_env_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_env_types.F negf_env_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bsse.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/bsse.F bsse.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mscfg_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mscfg_methods.F mscfg_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_env_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bsse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:11 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mscfg_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_env_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_env_types.F negf_env_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qs_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qs_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"bsse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' bsse.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mscfg_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mscfg_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_env_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_env_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mscfg_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bsse.mod' due to: target does not exist @@ -63837,12 +63873,17 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/negf_methods.F negf_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:15 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"negf_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' negf_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_force.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_force.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_force.F qmmm_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:16 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmm_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmm_force.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_force.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmmx_force.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmmx_force.F qmmmx_force.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:54 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_force.F90 /build/reproducible-path/cp2k-2025.1/src/negf_methods.F:1398:61: 1398 | gret_gamma_gadv_group @@ -63859,11 +63900,6 @@ 1397 | TYPE(cp_cfm_type), ALLOCATABLE, DIMENSION(:, :) :: gamma_contacts_group, & | ^~~~~~~~~~~~~~~~~~~~ note: 'gamma_contacts_group.offset' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_force.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmmx_force.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmmx_force.F qmmmx_force.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:18 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"qmmmx_force.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' qmmmx_force.F90 /build/reproducible-path/cp2k-2025.1/src/negf_methods.F:2718:79: 2718 | INTEGER :: handle, icontact, ipoint, ispin, & @@ -63888,7 +63924,7 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'force_env_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/force_env_methods.F force_env_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:19 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_env_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:22:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"force_env_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' force_env_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/force_env_methods.F:1875:94: @@ -63947,57 +63983,57 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/fist_main.F fist_main.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_bse.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/emd/rt_bse.F rt_bse.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp2k_debug.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp2k_debug.F cp2k_debug.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ipi_driver.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/ipi_driver.F ipi_driver.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp2k_debug.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/cp2k_debug.F cp2k_debug.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_coordinates.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_coordinates.F mc_coordinates.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_main.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_bse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_bse.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp2k_debug.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_driver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_driver.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:26 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_coordinates.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_coordinates.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"fist_main.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' fist_main.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"emd/rt_bse.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/emd/' rt_bse.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_coordinates.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_coordinates.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"ipi_driver.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' ipi_driver.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:06 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"cp2k_debug.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' cp2k_debug.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_main.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'f77_interface.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/f77_interface.F f77_interface.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:27 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' f77_interface.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"f77_interface.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' f77_interface.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ipi_driver.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp2k_debug.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_coordinates.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/f77_interface.F:1235:4: - - 1235 | SUBROUTINE get_vel(env_id, vel, n_el, ierr) - | ^~~~~~~~~~~~~~~~~~ -Warning: 'get_vel' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a" /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_bse.mod' due to: target does not exist true Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a rt_propagation_methods.o rt_bse_io.o rt_delta_pulse.o rt_propagation_utils.o rt_make_propagators.o rt_bse.o rt_projection_mo_utils.o rt_hfx_utils.o rt_propagator_init.o rt_bse_types.o rt_propagation_output.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a rt_propagation_output.o rt_delta_pulse.o rt_bse_io.o rt_projection_mo_utils.o rt_hfx_utils.o rt_propagation_methods.o rt_bse_types.o rt_propagator_init.o rt_propagation_utils.o rt_make_propagators.o rt_bse.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a +/build/reproducible-path/cp2k-2025.1/src/f77_interface.F:1235:4: + + 1235 | SUBROUTINE get_vel(env_id, vel, n_el, ierr) + | ^~~~~~~~~~~~~~~~~~ +Warning: 'get_vel' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'f77_interface.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'replica_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/replica_types.F replica_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optimize_basis.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optimize_basis.F optimize_basis.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optimize_input.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optimize_input.F optimize_input.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'optimize_basis.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optimize_basis.F optimize_basis.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_control.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_control.F mc_control.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_calculations.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_calculations.F tmc_calculations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' replica_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_basis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_input.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:32 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_calculations.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_calculations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_calculations.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_calculations.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_basis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_basis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' replica_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"optimize_input.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' optimize_input.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:14 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_control.F90 /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_control.F:290:54: 290 | atom_symbols(iunit) = atom_names(iunit, 1) @@ -64025,42 +64061,60 @@ note: 'e_pot' declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'replica_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_types.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_types.F pint_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'replica_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/replica_methods.F replica_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_types.F pint_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:16 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' replica_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_calculations.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_file_io.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_file_io.F tmc_file_io.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_moves.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_moves.F tmc_moves.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_types.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_types.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"replica_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' replica_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_file_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_file_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_moves.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_moves.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_file_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_file_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_moves.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_moves.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_control.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_ge_moves.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ge_moves.F mc_ge_moves.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:33 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ge_moves.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_ge_moves.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ge_moves.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_ge_moves.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_basis.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_input.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_normalmode.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_normalmode.F pint_normalmode.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_staging.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_staging.F pint_staging.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_public.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_public.F pint_public.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_gle.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_gle.F pint_gle.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_staging.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_staging.F pint_staging.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_normalmode.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_normalmode.F pint_normalmode.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_pile.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_pile.F pint_pile.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_normalmode.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_normalmode.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_staging.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_staging.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_public.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_public.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_gle.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_gle.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_pile.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_pile.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_gle.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_gle.F pint_gle.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_staging.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_staging.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_public.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_public.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_normalmode.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_normalmode.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_pile.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_pile.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:18 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_gle.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_gle.F90 +/build/reproducible-path/cp2k-2025.1/src/replica_methods.F:252:42: + + 252 | rep_env%para_env => para_env_full + | ^ +Warning: 'para_env_full' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/replica_methods.F:106:73: + + 106 | TYPE(mp_para_env_type), POINTER :: para_env_f, para_env_full, & + | ^~~~~~~~~~~~~ +note: 'para_env_full' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_file_io.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_dot_tree.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_dot_tree.F tmc_dot_tree.F90 /build/reproducible-path/cp2k-2025.1/src/motion/pint_public.F:77:3: 77 | PURE FUNCTION pint_cog_pos(pint_env) RESULT(cntrd_r) @@ -64071,46 +64125,50 @@ 110 | SUBROUTINE pint_free_part_bead_x(n, t, rng_gaussian, x, nout) | ^~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'pint_free_part_bead_x' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_input.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'replica_methods.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mode_selective.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mode_selective.F mode_selective.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_dot_tree.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_dot_tree.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:19 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mode_selective.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mode_selective.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_public.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_common.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_common.F helium_common.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_file_io.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_common.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_common.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_dot_tree.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_dot_tree.F tmc_dot_tree.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_pile.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_basis.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:34 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_dot_tree.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_dot_tree.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_gle.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/replica_methods.F:252:42: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:20 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_common.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_common.F90 +/build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ge_moves.F:546:65: - 252 | rep_env%para_env => para_env_full - | ^ -Warning: 'para_env_full' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/replica_methods.F:106:73: + 546 | moves(molecule_type, insert_box)%moves%swap%attempts + 1 + | ^ +Warning: 'molecule_type' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ge_moves.F:450:30: - 106 | TYPE(mp_para_env_type), POINTER :: para_env_f, para_env_full, & - | ^~~~~~~~~~~~~ -note: 'para_env_full' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_staging.mod' due to: target does not exist -true + 450 | ipart, itype, jbox, molecule_type, nmol_types, nswapmoves, print_level, rem_atoms, & + | ^~~~~~~~~~~~~ +note: 'molecule_type' was declared here +/build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ge_moves.F:1094:38: + + 1094 | DEALLOCATE (test_env_bias) + | ^ +Warning: 'test_env_bias.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ge_moves.F:469:71: + + 469 | TYPE(force_env_p_type), DIMENSION(:), POINTER :: test_env, test_env_bias + | ^~~~~~~~~~~~~ +note: 'test_env_bias.data' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_normalmode.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_moves.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_staging.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_transformations.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_transformations.F pint_transformations.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:35 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_transformations.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_transformations.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'replica_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mode_selective.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mode_selective.F mode_selective.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:35 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"mode_selective.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' mode_selective.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_transformations.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_transformations.F90 /build/reproducible-path/cp2k-2025.1/src/motion/helium_common.F:1454:3: 1454 | PURE FUNCTION helium_bead_rij(helium, ia, ib, ja, jb) RESULT(rij) @@ -64165,9 +64223,7 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_cancelation.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_cancelation.F tmc_cancelation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:35 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_cancelation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_cancelation.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_moves.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_cancelation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_cancelation.F90 /build/reproducible-path/cp2k-2025.1/src/motion/helium_common.F:350:31: 350 | DEALLOCATE (used_indices) @@ -64178,82 +64234,43 @@ 314 | INTEGER, DIMENSION(:), POINTER :: cur_cycle, used_indices | ^~~~~~~~~~~~ note: 'used_indices' declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_ge_moves.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_transformations.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_restarts.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/input_cp2k_restarts.F input_cp2k_restarts.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_io.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_io.F pint_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' input_cp2k_restarts.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/input_cp2k_restarts.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' input_cp2k_restarts.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_cancelation.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_tree_references.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_references.F tmc_tree_references.F90 -/build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ge_moves.F:546:65: - - 546 | moves(molecule_type, insert_box)%moves%swap%attempts + 1 - | ^ -Warning: 'molecule_type' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ge_moves.F:450:30: - - 450 | ipart, itype, jbox, molecule_type, nmol_types, nswapmoves, print_level, rem_atoms, & - | ^~~~~~~~~~~~~ -note: 'molecule_type' was declared here -/build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ge_moves.F:1094:38: - - 1094 | DEALLOCATE (test_env_bias) - | ^ -Warning: 'test_env_bias.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ge_moves.F:469:71: - - 469 | TYPE(force_env_p_type), DIMENSION(:), POINTER :: test_env, test_env_bias - | ^~~~~~~~~~~~~ -note: 'test_env_bias.data' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:36 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_references.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_references.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:22 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_references.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_references.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_tree_references.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_tree_search.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_search.F tmc_tree_search.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:37 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_search.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_search.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_tree_search.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_tree_build.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_build.F tmc_tree_build.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_ge_moves.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:38 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_build.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_build.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_io.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_piglet.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_piglet.F pint_piglet.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_qtb.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_qtb.F pint_qtb.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:38 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_piglet.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_piglet.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:38 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_qtb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_qtb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_search.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_search.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_common.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_interactions.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_interactions.F helium_interactions.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:38 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_interactions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_interactions.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_tree_build.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_analysis.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_analysis.F tmc_analysis.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_messages.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_messages.F tmc_messages.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_tree_acceptance.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_acceptance.F tmc_tree_acceptance.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_analysis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_messages.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_messages.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_acceptance.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_acceptance.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_interactions.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:24 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_interactions.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_interactions.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_io.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_io.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_io.F helium_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:40 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_io.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_qtb.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_qtb.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_qtb.F pint_qtb.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_piglet.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_piglet.F pint_piglet.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_qtb.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_qtb.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:25 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_piglet.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_piglet.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_tree_search.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_tree_build.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_build.F tmc_tree_build.F90 /build/reproducible-path/cp2k-2025.1/src/mode_selective.F:121:61: 121 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: tmp_dip @@ -64281,35 +64298,37 @@ 277 | REAL(KIND=dp) :: my_val, norm | ^~~~~~ note: 'my_val' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_piglet.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_acceptance.F:396:10: - - 396 | IF (parent_ready) THEN - | ^ -Warning: 'parent_ready' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_acceptance.F:362:61: - - 362 | LOGICAL :: parent_ready - | ^~~~~~~~~~~~ -note: 'parent_ready' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_tree_acceptance.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/tmc/tmc_analysis.F:1131:85: - - 1131 | REAL(KIND=dp) :: aver_box_scale(3), vol, voldr - | ^~~~~ -Warning: 'voldr' may be used uninitialized [-Wmaybe-uninitialized] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:26 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_build.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_build.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mode_selective.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a qs_kinetic.o mp2_ri_2c.o pao_param_fock.o qs_fb_atomic_matrix_methods.o fist_intra_force.o qs_linres_methods.o pao_ml.o qs_linres_epr_nablavks.o qs_initial_guess.o hartree_local_methods.o pao_potentials.o hirshfeld_methods.o qs_dftb_types.o cp2k_debug.o input_cp2k_thermostats.o xas_tdp_atom.o lri_environment_methods.o hirshfeld_types.o debug_os_integrals.o qs_dftb_utils.o semi_empirical_int_ana.o qs_fb_filter_matrix_methods.o input_cp2k_subsys.o topology_cp2k.o se_core_matrix.o eip_environment.o qs_commutators.o qmmm_gaussian_data.o qs_diis_types.o qs_active_space_types.o topology_pdb.o almo_scf_types.o qs_o3c_types.o input_cp2k_neb.o xtb_matrices.o input_cp2k_field.o kpoint_coulomb_2c.o qs_block_davidson_types.o qs_dftb3_methods.o qs_loc_main.o qs_overlap.o mulliken.o qs_ks_methods.o qs_tensors_types.o pwdft_environment.o manybody_eam.o rpa_exchange.o dm_ls_chebyshev.o input_cp2k_read.o qmmm_gaussian_input.o optbas_opt_utils.o qs_linres_op.o optimize_embedding_potential.o kg_environment_types.o force_field_types.o qmmm_force.o force_fields_util.o atom_fit.o qs_linres_current_utils.o input_restart_rng.o admm_dm_types.o xas_tdp_integrals.o kg_tnadd_mat.o hfx_load_balance_methods.o semi_empirical_int_arrays.o mp2_gpw_method.o pao_ml_descriptor.o mdctrl_types.o qs_scf.o ipi_environment_types.o hfx_types.o cp_ddapc_methods.o qmmm_topology_util.o qs_tddfpt2_methods.o graphcon.o qs_linres_nmr_utils.o qs_vxc.o qs_scf_post_tb.o mp2_grids.o qs_pdos.o qs_tddfpt2_lri_utils.o global_types.o kpoint_transitional.o pme_tools.o optimize_basis.o xas_tdp_types.o sirius_interface.o cp_control_types.o sap_kind_types.o qs_localization_methods.o pexsi_methods.o semi_empirical_int_utils.o semi_empirical_expns3_methods.o qs_neighbor_lists.o f77_interface.o almo_scf_optimizer.o soc_pseudopotential_utils.o qs_fb_env_types.o wannier90.o manybody_tersoff.o outer_scf_control_types.o qs_tddfpt2_stda_utils.o qs_scf_csr_write.o group_dist_types.o topology_connectivity_util.o block_p_types.o qs_loc_dipole.o xtb_parameters.o pao_ml_gaussprocess.o topology_xtl.o negf_methods.o efield_tb_methods.o force_env_methods.o gw_main.o dm_ls_scf_types.o qs_fb_input.o qs_kernel_methods.o qs_harris_types.o qs_efield_local.o dft_plus_u.o qs_vcd.o stm_images.o qs_dftb_parameters.o input_optimize_basis.o rpa_im_time.o rpa_grad.o topology_multiple_unit_cell.o qs_gcp_types.o lri_optimize_ri_basis.o qs_dispersion_types.o atom_utils.o tip_scan_types.o constraint_util.o qs_atomic_block.o qs_scf_post_scf.o qs_diis.o atom_output.o topology_psf.o qs_subsys_types.o qs_loc_utils.o qs_loc_molecules.o submatrix_types.o qs_density_matrices.o lri_compression.o wannier_states_types.o cp_ddapc.o qs_mo_methods.o constraint_clv.o topology.o qs_gcp_utils.o integration_grid_types.o efield_utils.o qs_fb_matrix_data_types.o semi_empirical_int_debug.o kpoint_methods.o embed_types.o gw_kp_to_real_space_and_back.o qs_nonscf.o manybody_allegro.o negf_alloc_types.o qs_dispersion_utils.o eeq_data.o mixed_cdft_utils.o pair_potential_types.o ec_efield_local.o qs_dftb_dispersion.o cryssym.o fist_environment_types.o qs_external_density.o qs_charge_mixing.o qs_tddfpt2_properties.o qs_dcdr.o ipi_driver.o et_coupling_types.o scine_utils.o qs_mfp.o admm_dm_methods.o input_cp2k_qs.o mp2_cphf.o qs_p_env_types.o gapw_1c_basis_set.o pao_param.o qs_tddfpt_types.o se_fock_matrix_integrals.o hfx_energy_potential.o qs_dispersion_d4.o preconditioner_types.o xtb_potentials.o atom_energy.o atom_electronic_structure.o pao_param_equi.o qs_vcd_utils.o qs_dispersion_cnum.o xtb_ehess_force.o qs_dispersion_pairpot.o qmmm_gaussian_init.o fermi_utils.o xas_tdp_correction.o moments_utils.o pao_types.o qs_tddfpt2_soc_types.o qs_wannier90.o commutator_rkinetic.o qs_ks_qmmm_types.o rmsd.o bse_main.o mao_optimizer.o negf_integr_cc.o negf_integr_simpson.o rpa_util.o pair_potential.o dm_ls_scf_curvy.o input_cp2k_tb.o core_ppnl.o qs_tddfpt_utils.o input_cp2k_kpoints.o qs_wf_history_types.o mode_selective.o qs_scf_diagonalization.o qs_dcdr_ao.o nnp_force.o force_fields_input.o rpa_im_time_force_types.o qmmm_types_low.o qcschema.o hfx_libint_interface.o atoms_input.o input_cp2k_atom.o basis_set_output.o kg_vertex_coloring_methods.o almo_scf.o ewald_spline_util.o qs_mom_methods.o csvr_system_utils.o qs_ot_scf.o rpa_gw_kpoints_util.o preconditioner_makes.o constraint_fxd.o rt_propagation_velocity_gauge.o exstates_types.o constraint_vsite.o uff_vdw_radii_table.o qs_mo_io.o hfx_screening_methods.o cp_subsys_methods.o qs_kpp1_env_types.o extended_system_types.o et_coupling_proj.o input_restart_force_eval.o qs_matrix_pools.o cp_external_control.o input_cp2k_colvar.o admm_types.o qs_efield_berry.o mixed_environment.o semi_empirical_mpole_methods.o mixed_cdft_methods.o qs_energy_utils.o ec_environment.o ct_methods.o virial_methods.o topology_cif.o constraint.o qs_linres_module.o pexsi_types.o qs_active_space_utils.o qs_linres_nmr_epr_common_utils.o qs_linres_kernel.o cp_ddapc_forces.o eeq_method.o min_basis_set.o ipi_server.o pao_model.o qs_cdft_types.o topology_util.o qs_electric_field_gradient.o gw_communication.o input_cp2k_exstate.o mscfg_types.o pao_main.o energy_corrections.o qs_rho_atom_types.o colvar_utils.o qs_mixing_utils.o topology_constraint_util.o qs_outer_scf.o pao_param_methods.o negf_integr_utils.o qmmmx_create.o farming_methods.o qmmm_per_elpot.o topology_gromos.o rpa_gw_sigma_x.o simpar_types.o qs_environment_methods.o input_cp2k_as.o xtb_eeq.o qs_tddfpt2_stda_types.o splines_methods.o qs_rho0_methods.o fist_nonbond_force.o input_cp2k_poisson.o metadynamics.o se_fock_matrix_coulomb.o dkh_main.o qs_scf_loop_utils.o pao_ml_neuralnet.o xray_diffraction.o almo_scf_diis_types.o qs_scf_post_gpw.o mp2.o qs_scf_wfn_mix.o pw_env_methods.o input_cp2k_motion_print.o qs_oce_methods.o eeq_input.o mixed_environment_utils.o matrix_exp.o parallel_gemm_api.o qs_ks_reference.o input_cp2k_pwdft.o qs_scf_block_davidson.o input_cp2k_rsgrid.o paw_proj_set_types.o nnp_environment_types.o cp_realspace_grid_init.o statistical_methods.o qs_scf_output.o domain_submatrix_types.o qs_environment_types.o voronoi_interface.o input_cp2k_properties_dft.o smeagol_control_types.o qs_force.o almo_scf_methods.o trexio.o manybody_gal.o soc_pseudopotential_methods.o auto_basis.o pao_linpot_full.o input_cp2k_eip.o qs_linres_current.o qmmm_util.o kg_correction.o atom_types.o negf_vectors.o beta_gamma_psi.o rpa_gw.o xc_write_output.o xas_env_types.o lri_optimize_ri_basis_types.o core_ppl.o hartree_local_types.o fist_neighbor_list_types.o pao_param_exp.o localization_tb.o qs_dcdr_utils.o gw_small_cell_full_kp.o mp2_direct_method.o qmmm_tb_methods.o embed_main.o molecular_moments.o qs_moments.o qs_o3c_methods.o ed_analysis.o semi_empirical_int_num.o hfx_pair_list_methods.o cp_dbcsr_output.o negf_green_cache.o input_cp2k_mixed.o minbas_wfn_analysis.o qs_tddfpt_module.o qs_energy_init.o atom_admm_methods.o qmmm_image_charge.o input_cp2k_check.o mao_basis.o ewald_pw_types.o population_analyses.o semi_empirical_mpole_types.o qs_core_hamiltonian.o qs_subsys_methods.o pao_linpot_rotinv.o optimize_basis_utils.o topology_input.o gw_integrals.o topology_types.o manybody_siepmann.o mixed_main.o qs_ks_apply_restraints.o qs_scf_lanczos.o subcell_types.o colvar_methods.o xas_tp_scf.o ri_environment_methods.o cp2k_info.o qs_gamma2kp.o xtb_coulomb.o pao_methods.o gle_system_types.o pexsi_interface.o qs_tddfpt2_restart.o motion_utils.o semi_empirical_types.o semi_empirical_utils.o metadynamics_types.o cp_dbcsr_cp2k_link.o force_env_utils.o cell_methods.o semi_empirical_int_gks.o cp_ddapc_types.o topology_xyz.o xc_adiabatic_methods.o rpa_im_time_force_methods.o qs_p_env_methods.o qmmm_tb_coulomb.o ipi_environment.o qs_energy_window.o qs_chargemol.o cp_ddapc_util.o qs_tddfpt2_types.o post_scf_bandstructure_utils.o transport_env_types.o xas_tdp_methods.o cp_dbcsr_operations.o post_scf_bandstructure_methods.o qs_loc_types.o mp2_ri_libint.o lri_integrals.o qmmm_gpw_energy.o ct_types.o input_cp2k_dft.o hfx_compression_methods.o mao_methods.o optimize_dmfet_potential.o almo_scf_qs.o qs_fb_distribution_methods.o free_energy_types.o grrm_utils.o semi_empirical_par_utils.o iao_analysis.o qs_scf_methods.o admm_utils.o ec_orth_solver.o input_cp2k_nnp.o atom_basis.o atom_operators.o input_cp2k_projection_rtp.o qs_grid_atom.o qs_elec_field.o qs_tddfpt2_forces.o qs_environment.o topology_generate_util.o qs_linres_issc_utils.o qmmm_init.o xas_tdp_utils.o minbas_methods.o replica_methods.o optimize_input.o qmmm_links_methods.o qs_update_s_mstruct.o molsym.o negf_atom_map.o qs_matrix_w.o qmmm_elpot.o force_fields_ext.o qs_fb_hash_table_types.o fist_main.o hfx_derivatives.o qs_eht_guess.o qs_sccs.o se_fock_matrix_exchange.o mm_mapping_library.o fist_nonbond_env_types.o input_cp2k_hfx.o atom_grb.o qmmmx_update.o qs_integrate_potential_single.o ec_env_types.o exclusion_types.o rel_control_types.o qs_oce_types.o mp2_types.o gw_utils.o qmmm_ff_fist.o mp2_laplace.o atom_kind_orbitals.o topology_amber.o fp_methods.o input_cp2k_embed.o transport.o input_cp2k_harris.o qs_condnum.o qs_tddfpt_eigensolver.o hfx_ri.o atom_pseudo.o qs_kind_types.o dgemm_counter_types.o mp2_ri_grad_util.o almo_scf_lbfgs_types.o qs_rho0_ggrid.o qs_tensors.o qs_cdft_scf_utils.o xtb_ehess.o qs_dispersion_nonloc.o negf_env_types.o ex_property_calculation.o ewald_environment_types.o libint_wrapper.o qmmmx_force.o qs_linres_nmr_shift.o hfx_ri_kp.o gw_large_cell_gamma.o input_cp2k_ls.o qs_ot_eigensolver.o qs_band_structure.o force_env_types.o qs_ks_qmmm_methods.o lri_forces.o semi_empirical_expns3_types.o rpa_gw_im_time_util.o distribution_2d_types.o qs_ot_types.o cp_dbcsr_cholesky.o task_list_types.o input_cp2k_print_dft.o input_cp2k_global.o lri_environment_init.o distribution_methods.o eip_environment_types.o qs_gapw_densities.o spglib_f08.o hfx_helpers.o cp_symmetry.o qs_charges_types.o input_cp2k_voronoi.o qs_interactions.o qs_scf_post_se.o qmmmx_util.o generic_os_integrals.o commutator_rpnl.o semi_empirical_parameters.o input_cp2k_scf.o mao_types.o header.o pwdft_environment_types.o hfx_pw_methods.o qs_ot_minimizer.o linesearch.o qs_kernel_types.o xc_pot_saop.o et_coupling.o xas_methods.o mixed_cdft_types.o fist_efield_methods.o pao_optimizer.o qs_harris_utils.o qs_tddfpt2_assign.o hfx_communication.o input_constants.o qs_tddfpt2_fprint.o qs_density_mixing_types.o qs_fb_com_tasks_types.o rpa_rse.o qs_scf_types.o ewalds_multipole.o iao_types.o wannier_states.o smeagol_interface.o semi_empirical_integrals.o input_cp2k_xc.o molecular_states.o qs_ks_utils.o input_cp2k_resp.o qs_elf_methods.o trexio_utils.o mp2_ri_gpw.o constraint_3x3.o qs_scf_initialization.o qs_resp.o qs_mo_types.o input_cp2k_almo.o qs_rho0_types.o mm_collocate_potential.o qs_fb_trial_fns_types.o molecular_dipoles.o qs_cdft_opt_types.o qs_core_energies.o qmmm_gaussian_types.o taper_types.o qs_kpp1_env_methods.o mixed_energy_types.o manybody_quip.o post_scf_bandstructure_types.o input_cp2k_smeagol.o qs_hash_table_functions.o kg_environment.o submatrix_dissection.o pao_param_linpot.o qmmm_create.o constraint_4x6.o dm_ls_scf_create.o atom.o external_potential_methods.o pair_potential_util.o optbas_fenv_manipulation.o input_cp2k_se.o ls_matrix_exp.o qs_rho_types.o qs_force_types.o manybody_nequip.o input_optimize_input.o xas_control.o input_cp2k_atprop.o atom_sgp.o surface_dipole.o rpa_gw_ic.o iterate_matrix.o xas_tdp_kernel.o almo_scf_env_methods.o qmmm_pw_grid.o atomic_charges.o molden_utils.o negf_subgroup_types.o qs_tddfpt2_fhxc.o input_cp2k_opt.o kpoint_io.o qs_neighbor_list_types.o input_cp2k_mp2.o qs_basis_gradient.o pair_potential_coulomb.o scf_control_types.o qs_active_space_methods.o bse_iterative.o response_solver.o fist_pol_scf.o atom_xc.o xtb_ks_matrix.o manybody_deepmd.o topology_coordinate_util.o input_cp2k_mm.o al_system_types.o maxwell_solver_interface.o qmmm_se_energy.o qs_basis_rotation_methods.o optimize_basis_types.o spme.o bsse.o qs_tddfpt2_subgroups.o ewald_pw_methods.o qs_tddfpt2_fhxc_forces.o rt_propagation_types.o qs_local_properties.o input_cp2k_distribution.o atom_set_basis.o bse_util.o ec_external.o qs_fxc.o qs_epr_hyp.o se_fock_matrix.o local_gemm_api.o qs_nonscf_utils.o qs_tddfpt2_utils.o qs_dftb_coulomb.o mp2_integrals.o qs_mo_occupation.o preconditioner.o lri_ks_methods.o manybody_gal21.o qs_local_rho_types.o qs_energy_types.o qs_nl_hash_table_types.o qs_tddfpt2_soc_utils.o rtp_admm_methods.o qmmm_types.o dm_ls_scf.o qs_2nd_kernel_ao.o excited_states.o qs_integrate_potential_product.o input_cp2k_negf.o metadynamics_utils.o fist_force.o mp2_ri_grad.o qs_dftb_matrices.o qs_mom_types.o smeagol_emtoptions.o se_fock_matrix_dbg.o nnp_environment.o xtb_types.o mp2_eri.o task_list_methods.o rpa_communication.o qs_fb_atomic_halo_types.o fist_efield_types.o fist_neighbor_list_control.o libgrpp_integrals.o input_cp2k_force_eval.o force_fields.o pao_param_gth.o environment.o cp_eri_mme_interface.o pilaenv_hack.o semi_empirical_int3_utils.o qs_linres_types.o csvr_system_types.o admm_methods.o fist_energy_types.o atom_upf.o fp_types.o qmmm_se_forces.o splines_types.o mp2_eri_gpw.o qs_ks_types.o kpoint_types.o pao_io.o farming_types.o qs_dispersion_d2.o qmmm_gpw_forces.o cp_dbcsr_diag.o hfx_admm_utils.o s_square_methods.o qs_operators_ao.o qs_ot.o qs_cdft_methods.o qs_linres_epr_ownutils.o xtb_hab_force.o shg_integrals_test.o atom_optimization.o lri_environment_types.o qs_fermi_contact.o qs_integrate_potential.o libint_2c_3c.o qs_collocate_density.o qs_linres_polar_utils.o nnp_model.o rt_propagation_forces.o mao_wfn_analysis.o fist_environment.o qs_tddfpt2_eigensolver.o input_cp2k_qmmm.o qs_period_efield_types.o qs_fb_buffer_types.o qs_vcd_ao.o rpa_main.o library_tests.o dm_ls_scf_qs.o input_cp2k_external.o input_cp2k_restarts_util.o qs_wf_history_methods.o hfx_exx.o input_cp2k_loc.o bse_print.o preconditioner_apply.o negf_green_methods.o negf_matrix_utils.o domain_submatrix_methods.o deepmd_wrapper.o qs_rho_atom_methods.o ec_methods.o pw_poisson_read_input.o input_cp2k_transport.o pao_input.o qs_loc_methods.o tip_scan_methods.o qs_spin_orbit.o se_core_core.o ewald_methods_tb.o semi_empirical_store_int_types.o mp2_gpw.o eip_silicon.o hdf5_wrapper.o manybody_potential.o qs_tddfpt2_soc.o core_ae.o replica_types.o qs_harmonics_atom.o qs_external_potential.o input_cp2k_binary_restarts.o mixed_environment_types.o input_cp2k_xas.o mscfg_methods.o rpa_sigma_functional.o qmmmx_types.o qs_loc_states.o xtb_hcore.o pme.o qs_gspace_mixing.o qs_tddfpt2_densities.o mol_force.o qs_energy.o kpsym.o qs_linres_atom_current.o qs_ks_atom.o qs_dispersion_d3.o qs_vxc_atom.o nnp_acsf.o preconditioner_solvers.o embed_environment.o bse_full_diag.o qs_tddfpt2_operators.o qs_tddfpt2_smearing_methods.o dm_ls_scf_methods.o sockets_interface.o qs_cdft_utils.o xas_restart.o qs_gcp_method.o particle_methods.o qs_rho_methods.o ewalds.o mp2_optimize_ri_basis.o fist_neighbor_lists.o force_fields_all.o qs_dos.o restraint.o torch_api.o input_cp2k_ec.o smeagol_matrix_utils.o input_cp2k_constraints.o negf_control_types.o qs_integral_utils.o bse_properties.o cp_realspace_grid_cube.o input_cp2k_free_energy.o qs_fb_env_methods.o mp2_setup.o xc_adiabatic_utils.o qs_linres_epr_utils.o cp_control_utils.o sockets.o torch_c_api.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a qs_linres_issc_utils.o qs_cdft_scf_utils.o rpa_gw_im_time_util.o semi_empirical_mpole_methods.o pao_methods.o input_cp2k_read.o input_cp2k_scf.o force_fields_ext.o qs_scf_post_tb.o mixed_environment_types.o eip_silicon.o pao_param_fock.o qs_diis.o iao_analysis.o qs_active_space_types.o qs_local_properties.o eeq_method.o xas_tdp_atom.o optbas_opt_utils.o gw_communication.o qs_dftb_utils.o qs_ot_scf.o kg_vertex_coloring_methods.o minbas_methods.o cp2k_info.o qs_active_space_methods.o voronoi_interface.o cp_eri_mme_interface.o qs_block_davidson_types.o qs_subsys_types.o mode_selective.o qs_tddfpt2_soc.o cp_ddapc_forces.o xtb_matrices.o torch_api.o qs_fb_distribution_methods.o hirshfeld_methods.o negf_green_cache.o fp_types.o qs_vcd_utils.o qmmm_links_methods.o response_solver.o rpa_im_time_force_types.o mm_mapping_library.o qs_efield_local.o qs_charge_mixing.o negf_vectors.o admm_dm_methods.o xc_pot_saop.o input_cp2k_poisson.o qs_collocate_density.o qs_band_structure.o gle_system_types.o qs_fb_env_methods.o ewalds.o input_cp2k_almo.o qs_scf_loop_utils.o libint_2c_3c.o fist_neighbor_list_control.o ec_env_types.o auto_basis.o ri_environment_methods.o iao_types.o farming_types.o post_scf_bandstructure_utils.o qmmm_tb_methods.o topology_cp2k.o nnp_environment.o hfx_derivatives.o bse_properties.o metadynamics_utils.o efield_tb_methods.o input_cp2k_exstate.o atom_kind_orbitals.o tip_scan_methods.o qs_fxc.o mm_collocate_potential.o input_cp2k_transport.o qs_linres_types.o hfx_libint_interface.o hfx_pair_list_methods.o pao_potentials.o semi_empirical_expns3_types.o pexsi_methods.o atom_pseudo.o input_cp2k_resp.o topology_input.o qs_elec_field.o pao_ml_gaussprocess.o qmmm_types.o atom.o pme.o mixed_energy_types.o input_cp2k_ls.o optbas_fenv_manipulation.o transport_env_types.o nnp_force.o al_system_types.o xtb_hcore.o qs_nonscf_utils.o xtb_coulomb.o topology_generate_util.o qmmm_se_energy.o qs_energy_init.o input_cp2k_embed.o qs_tddfpt2_fhxc.o input_cp2k_colvar.o qs_loc_main.o fist_efield_methods.o uff_vdw_radii_table.o constraint.o qs_density_matrices.o pao_linpot_rotinv.o qs_moments.o bse_print.o qs_kpp1_env_types.o qs_hash_table_functions.o xas_tdp_kernel.o xas_tdp_types.o input_cp2k_thermostats.o lri_environment_init.o eeq_input.o wannier90.o gapw_1c_basis_set.o qs_environment_types.o qmmmx_create.o libint_wrapper.o force_env_methods.o hfx_energy_potential.o qs_localization_methods.o smeagol_matrix_utils.o qs_environment_methods.o mixed_cdft_utils.o hfx_types.o rpa_grad.o input_cp2k_mp2.o mixed_environment_utils.o semi_empirical_store_int_types.o qs_dcdr_ao.o transport.o qs_dispersion_pairpot.o ec_methods.o qs_fb_atomic_matrix_methods.o qs_tddfpt2_properties.o atom_xc.o qs_dispersion_utils.o outer_scf_control_types.o ec_orth_solver.o topology_util.o bsse.o xc_adiabatic_methods.o input_cp2k_external.o almo_scf_types.o maxwell_solver_interface.o block_p_types.o input_cp2k_constraints.o qs_scf_post_gpw.o hfx_admm_utils.o cp_dbcsr_cp2k_link.o qs_oce_types.o rpa_exchange.o rt_propagation_types.o qs_tddfpt2_lri_utils.o pwdft_environment_types.o qs_wf_history_types.o mp2_ri_grad.o qs_tddfpt2_soc_types.o qs_tddfpt2_soc_utils.o qs_condnum.o qs_ot_eigensolver.o pao_model.o qs_dispersion_types.o matrix_exp.o mp2_grids.o se_fock_matrix_exchange.o soc_pseudopotential_methods.o splines_types.o cp_external_control.o input_cp2k_loc.o colvar_utils.o qs_tddfpt2_restart.o kpsym.o qs_linres_nmr_utils.o constraint_clv.o qs_epr_hyp.o dm_ls_scf_qs.o scf_control_types.o force_fields_all.o qs_sccs.o xtb_potentials.o mp2_types.o cp_ddapc_methods.o qs_core_energies.o semi_empirical_expns3_methods.o topology_xtl.o bse_main.o qs_cdft_methods.o ec_efield_local.o qs_commutators.o qs_vxc.o input_cp2k_mm.o qs_diis_types.o rmsd.o input_cp2k_ec.o lri_forces.o embed_main.o qs_kinetic.o topology_types.o rpa_main.o qs_ks_reference.o semi_empirical_int_gks.o pao_ml_descriptor.o qs_tddfpt2_stda_utils.o pao_input.o iterate_matrix.o qs_linres_op.o virial_methods.o input_cp2k_xas.o pexsi_types.o qs_mo_types.o hirshfeld_types.o smeagol_emtoptions.o qs_tddfpt_module.o farming_methods.o negf_alloc_types.o xtb_eeq.o fist_force.o trexio.o force_fields.o hfx_ri_kp.o xtb_ehess_force.o fist_main.o fist_environment_types.o xray_diffraction.o pao_linpot_full.o qcschema.o mp2_eri_gpw.o hfx_ri.o almo_scf.o gw_utils.o qs_gapw_densities.o pair_potential_util.o mp2_ri_2c.o qs_spin_orbit.o rpa_im_time_force_methods.o taper_types.o post_scf_bandstructure_methods.o dm_ls_scf_curvy.o qs_ot_minimizer.o cp_ddapc_types.o hfx_compression_methods.o qs_scf_wfn_mix.o sockets_interface.o bse_iterative.o fermi_utils.o qs_nonscf.o topology_multiple_unit_cell.o mscfg_methods.o global_types.o input_cp2k_dft.o qs_matrix_w.o qs_energy.o qmmm_init.o preconditioner_solvers.o preconditioner_makes.o mp2_laplace.o hdf5_wrapper.o commutator_rkinetic.o qs_rho_atom_methods.o qs_dftb_matrices.o qs_scf_types.o qs_tddfpt2_fhxc_forces.o mp2.o qs_tddfpt2_utils.o qs_linres_nmr_shift.o pexsi_interface.o qs_tddfpt_eigensolver.o semi_empirical_int_ana.o qs_nl_hash_table_types.o mp2_cphf.o spme.o qs_ks_qmmm_types.o eip_environment_types.o input_cp2k_global.o pao_ml.o qmmm_gaussian_init.o xas_restart.o qs_pdos.o molecular_moments.o semi_empirical_integrals.o subcell_types.o constraint_fxd.o topology_gromos.o qs_vcd_ao.o mp2_gpw.o force_env_utils.o input_cp2k_print_dft.o qs_tddfpt2_eigensolver.o qs_harris_utils.o qs_mixing_utils.o ipi_driver.o qs_linres_atom_current.o fist_energy_types.o atom_output.o kpoint_coulomb_2c.o atom_operators.o se_fock_matrix_coulomb.o qs_harris_types.o xc_adiabatic_utils.o metadynamics.o cp_realspace_grid_init.o optimize_basis_types.o simpar_types.o almo_scf_qs.o external_potential_methods.o input_cp2k_free_energy.o input_cp2k_tb.o input_cp2k_rsgrid.o topology_pdb.o negf_env_types.o pair_potential.o qs_linres_module.o force_fields_input.o qs_dispersion_nonloc.o exstates_types.o force_env_types.o input_cp2k_force_eval.o lri_environment_types.o qs_linres_current.o qs_dos.o qs_neighbor_list_types.o admm_types.o semi_empirical_int_utils.o input_cp2k_restarts_util.o rpa_communication.o s_square_methods.o semi_empirical_par_utils.o exclusion_types.o topology_coordinate_util.o qmmm_gpw_energy.o lri_optimize_ri_basis_types.o core_ae.o input_cp2k_qmmm.o lri_compression.o rel_control_types.o min_basis_set.o semi_empirical_int_arrays.o qs_ot.o almo_scf_diis_types.o preconditioner.o negf_integr_utils.o dgemm_counter_types.o input_cp2k_eip.o lri_integrals.o qs_gcp_types.o qs_gspace_mixing.o qs_local_rho_types.o qmmm_tb_coulomb.o qs_mo_occupation.o dm_ls_scf_methods.o replica_types.o qs_tddfpt2_smearing_methods.o cp_dbcsr_diag.o ex_property_calculation.o rtp_admm_methods.o manybody_deepmd.o semi_empirical_types.o qs_tddfpt2_methods.o input_cp2k_field.o manybody_nequip.o qs_chargemol.o ed_analysis.o ewald_spline_util.o atom_set_basis.o qs_dcdr_utils.o qs_ks_atom.o qs_fb_input.o qs_loc_utils.o qs_eht_guess.o xc_write_output.o input_cp2k_voronoi.o embed_environment.o parallel_gemm_api.o negf_control_types.o manybody_gal.o group_dist_types.o qs_kpp1_env_methods.o pao_param_linpot.o qs_charges_types.o qs_ks_apply_restraints.o qs_grid_atom.o qs_cdft_utils.o qmmm_force.o qs_energy_utils.o gw_large_cell_gamma.o distribution_methods.o input_cp2k_qs.o qs_initial_guess.o molden_utils.o atom_utils.o trexio_utils.o qs_dispersion_d3.o negf_atom_map.o qmmmx_update.o stm_images.o eip_environment.o optimize_embedding_potential.o manybody_gal21.o qs_scf_csr_write.o optimize_input.o negf_integr_simpson.o qs_linres_epr_nablavks.o qs_scf_initialization.o header.o ct_types.o mp2_eri.o cp_dbcsr_operations.o kpoint_methods.o pao_param.o semi_empirical_mpole_types.o qs_mo_io.o negf_matrix_utils.o task_list_methods.o qs_kernel_methods.o soc_pseudopotential_utils.o qs_dftb_dispersion.o wannier_states.o colvar_methods.o qs_kernel_types.o nnp_model.o et_coupling.o manybody_allegro.o mao_methods.o core_ppl.o qs_rho0_ggrid.o gw_integrals.o negf_methods.o qs_outer_scf.o qs_mom_methods.o qs_scf_output.o qs_linres_epr_utils.o atomic_charges.o semi_empirical_parameters.o embed_types.o qmmm_gaussian_data.o excited_states.o gw_kp_to_real_space_and_back.o cp_subsys_methods.o qmmm_pw_grid.o qs_external_potential.o admm_dm_types.o gw_main.o qs_rho0_types.o constraint_vsite.o scine_utils.o xas_env_types.o dm_ls_scf_types.o local_gemm_api.o qs_p_env_methods.o qs_rho_types.o admm_methods.o se_fock_matrix.o ec_environment.o qs_integral_utils.o qs_tddfpt_utils.o commutator_rpnl.o xas_methods.o qs_loc_states.o efield_utils.o input_restart_force_eval.o input_cp2k_neb.o qs_vcd.o qs_linres_nmr_epr_common_utils.o molecular_states.o extended_system_types.o qmmm_elpot.o input_cp2k_subsys.o input_cp2k_se.o qs_loc_types.o atom_admm_methods.o qs_dftb_coulomb.o preconditioner_types.o domain_submatrix_types.o qs_scf.o qs_resp.o qs_basis_rotation_methods.o preconditioner_apply.o se_core_matrix.o qs_gcp_method.o qs_cdft_opt_types.o xtb_ehess.o rt_propagation_velocity_gauge.o input_cp2k_nnp.o qs_elf_methods.o optimize_basis_utils.o qs_integrate_potential.o atom_energy.o fist_intra_force.o qs_density_mixing_types.o eeq_data.o semi_empirical_int_debug.o input_cp2k_binary_restarts.o qs_environment.o input_restart_rng.o restraint.o qs_cdft_types.o kpoint_types.o domain_submatrix_methods.o manybody_siepmann.o qs_overlap.o qmmm_gaussian_types.o ewalds_multipole.o dm_ls_scf.o xtb_parameters.o xtb_types.o qmmm_util.o mscfg_types.o input_cp2k_as.o input_cp2k_xc.o qs_vxc_atom.o qmmm_per_elpot.o negf_green_methods.o et_coupling_types.o rpa_util.o qs_linres_methods.o mp2_integrals.o pao_param_exp.o qs_subsys_methods.o smeagol_control_types.o qs_tddfpt2_stda_types.o pao_io.o sap_kind_types.o mao_types.o qs_loc_methods.o cp_dbcsr_output.o fist_environment.o qs_linres_epr_ownutils.o qs_linres_current_utils.o mp2_ri_grad_util.o atom_fit.o hartree_local_methods.o pao_types.o rpa_gw_kpoints_util.o manybody_eam.o cp_dbcsr_cholesky.o input_cp2k_mixed.o qs_linres_polar_utils.o qs_force.o qs_dftb_parameters.o qs_external_density.o cryssym.o qmmmx_force.o input_optimize_basis.o kg_tnadd_mat.o atom_optimization.o qmmmx_types.o atom_sgp.o cell_methods.o molsym.o constraint_util.o task_list_types.o input_cp2k_hfx.o ct_methods.o input_cp2k_negf.o kpoint_io.o qs_scf_post_scf.o qs_energy_window.o qs_fb_filter_matrix_methods.o bse_util.o manybody_potential.o qs_scf_block_davidson.o library_tests.o atom_types.o splines_methods.o topology_cif.o qs_active_space_utils.o qs_ks_types.o qmmm_topology_util.o mdctrl_types.o qs_loc_molecules.o linesearch.o ls_matrix_exp.o qs_ks_qmmm_methods.o topology_psf.o topology.o qmmm_gpw_forces.o pw_poisson_read_input.o qs_gamma2kp.o distribution_2d_types.o mulliken.o se_fock_matrix_integrals.o rt_propagation_forces.o qs_o3c_types.o input_cp2k_motion_print.o qs_tddfpt2_types.o bse_full_diag.o metadynamics_types.o rpa_rse.o csvr_system_utils.o spglib_f08.o pao_param_equi.o qs_matrix_pools.o qs_p_env_types.o pilaenv_hack.o qmmm_ff_fist.o atom_upf.o input_cp2k_distribution.o beta_gamma_psi.o population_analyses.o csvr_system_types.o hartree_local_types.o cp_ddapc_util.o input_cp2k_smeagol.o qmmm_gaussian_input.o qs_tddfpt2_subgroups.o fp_methods.o qs_ks_utils.o qs_wannier90.o ewald_methods_tb.o qs_fb_com_tasks_types.o qs_force_types.o basis_set_output.o qs_fb_atomic_halo_types.o cp_control_types.o integration_grid_types.o nnp_environment_types.o negf_subgroup_types.o mixed_main.o qs_dcdr.o generic_os_integrals.o ipi_server.o et_coupling_proj.o qs_rho_atom_types.o submatrix_types.o input_cp2k_projection_rtp.o submatrix_dissection.o xas_tp_scf.o cp_realspace_grid_cube.o qs_tddfpt2_operators.o qs_integrate_potential_product.o mixed_cdft_types.o qmmm_types_low.o qs_electric_field_gradient.o qs_atomic_block.o dft_plus_u.o replica_methods.o ewald_pw_methods.o mp2_ri_gpw.o hfx_pw_methods.o qmmm_image_charge.o tip_scan_types.o xas_tdp_integrals.o qs_scf_diagonalization.o topology_connectivity_util.o kpoint_transitional.o constraint_3x3.o hfx_helpers.o qs_mo_methods.o particle_methods.o rpa_gw_sigma_x.o free_energy_types.o qs_2nd_kernel_ao.o moments_utils.o qs_mfp.o xtb_hab_force.o lri_environment_methods.o qs_fb_env_types.o pao_param_methods.o nnp_acsf.o f77_interface.o rpa_gw.o debug_os_integrals.o qmmm_create.o qs_ot_types.o qs_loc_dipole.o qs_tddfpt_types.o atom_basis.o fist_nonbond_force.o qs_fb_trial_fns_types.o gw_small_cell_full_kp.o shg_integrals_test.o fist_neighbor_list_types.o qs_ks_methods.o ewald_environment_types.o qs_period_efield_types.o deepmd_wrapper.o constraint_4x6.o qs_gcp_utils.o mixed_environment.o semi_empirical_int3_utils.o admm_utils.o input_cp2k_kpoints.o qs_oce_methods.o input_constants.o mp2_ri_libint.o manybody_quip.o paw_proj_set_types.o pao_param_gth.o qs_fermi_contact.o atom_grb.o semi_empirical_utils.o almo_scf_env_methods.o se_fock_matrix_dbg.o force_fields_util.o qs_tddfpt2_assign.o qs_basis_gradient.o qs_scf_lanczos.o input_cp2k_check.o input_cp2k_atprop.o mao_optimizer.o qs_neighbor_lists.o qs_fb_buffer_types.o localization_tb.o mixed_cdft_methods.o pme_tools.o smeagol_interface.o qs_operators_ao.o qs_dispersion_d2.o topology_constraint_util.o dm_ls_scf_create.o ipi_environment_types.o graphcon.o qs_fb_hash_table_types.o manybody_tersoff.o cp2k_debug.o qs_fb_matrix_data_types.o atom_electronic_structure.o fist_efield_types.o sirius_interface.o post_scf_bandstructure_types.o optimize_dmfet_potential.o qs_tddfpt2_fprint.o dm_ls_chebyshev.o ewald_pw_types.o qs_interactions.o qs_linres_kernel.o mp2_setup.o qs_core_hamiltonian.o pair_potential_types.o qs_wf_history_methods.o qs_dftb3_methods.o qs_tddfpt2_forces.o qmmm_se_forces.o molecular_dipoles.o xas_control.o lri_ks_methods.o qs_tddfpt2_densities.o input_cp2k_opt.o qs_scf_methods.o optimize_basis.o almo_scf_optimizer.o input_optimize_input.o ec_external.o force_field_types.o negf_integr_cc.o xas_tdp_methods.o qs_efield_berry.o mao_wfn_analysis.o cp_control_utils.o wannier_states_types.o qs_rho0_methods.o statistical_methods.o mol_force.o pao_main.o pwdft_environment.o mp2_gpw_method.o hfx_screening_methods.o input_cp2k_properties_dft.o topology_xyz.o qs_update_s_mstruct.o qs_energy_types.o mp2_direct_method.o qmmmx_util.o xas_tdp_utils.o qs_dispersion_cnum.o kg_correction.o surface_dipole.o input_cp2k_atom.o pw_env_methods.o mp2_optimize_ri_basis.o grrm_utils.o kg_environment_types.o se_core_core.o xas_tdp_correction.o fist_nonbond_env_types.o topology_amber.o lri_optimize_ri_basis.o qs_mom_types.o hfx_communication.o almo_scf_lbfgs_types.o qs_dftb_types.o atoms_input.o motion_utils.o libgrpp_integrals.o mao_basis.o qs_tensors.o qs_tensors_types.o semi_empirical_int_num.o minbas_wfn_analysis.o input_cp2k_pwdft.o rpa_sigma_functional.o pair_potential_coulomb.o core_ppnl.o input_cp2k_harris.o qs_scf_post_se.o hfx_exx.o pao_ml_neuralnet.o qs_kind_types.o rpa_gw_ic.o qs_integrate_potential_single.o rpa_im_time.o qs_harmonics_atom.o pao_optimizer.o cp_ddapc.o kg_environment.o energy_corrections.o cp_symmetry.o dkh_main.o hfx_load_balance_methods.o fist_neighbor_lists.o qs_rho_methods.o fist_pol_scf.o qs_o3c_methods.o qs_dispersion_d4.o xtb_ks_matrix.o ipi_environment.o almo_scf_methods.o environment.o sockets.o torch_c_api.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'vibrational_analysis.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/vibrational_analysis.F vibrational_analysis.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:42 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/vibrational_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' vibrational_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/vibrational_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' vibrational_analysis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_interactions.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_io.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_io.F helium_io.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:27 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_io.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_qtb.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_piglet.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_tree_build.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_analysis.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_analysis.F tmc_analysis.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_messages.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_messages.F tmc_messages.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_tree_acceptance.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_acceptance.F tmc_tree_acceptance.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_analysis.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_analysis.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_messages.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_messages.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:29 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_tree_acceptance.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_tree_acceptance.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_restarts.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gopt_f_methods.o' due to: target does not exist @@ -64320,38 +64339,10 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/rt_propagation.F rt_propagation.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'neb_io.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/neb_io.F neb_io.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_messages.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_master.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_master.F tmc_master.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_f_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_util.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/rt_propagation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' rt_propagation.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_io.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:43 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_master.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_master.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_analysis.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_worker.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_worker.F tmc_worker.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:44 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_worker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_worker.F90 -/build/reproducible-path/cp2k-2025.1/src/motion/neb_io.F:435:55: - - 435 | logger%iter_info%project_name = replica_proj_name - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_io.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_worm.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_worm.F helium_worm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:45 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_worm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_worm.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_util.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:154: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/nequip_unittest.psmp' due to: target does not exist -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:45 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/nequip_unittest.psmp nequip_unittest.o -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kdbx -lcp2kdbm -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'neb_io.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_master.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_util.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_util.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_f_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/rt_propagation.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' rt_propagation.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:31 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_io.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_io.F90 /build/reproducible-path/cp2k-2025.1/src/motion/vibrational_analysis.F:128:74: 128 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: polar_deriv, tmp_dip @@ -64388,6 +64379,37 @@ 128 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: polar_deriv, tmp_dip | ^~~~~~~~~~~ Warning: 'polar_deriv.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_acceptance.F:396:10: + + 396 | IF (parent_ready) THEN + | ^ +Warning: 'parent_ready' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_acceptance.F:362:61: + + 362 | LOGICAL :: parent_ready + | ^~~~~~~~~~~~ +note: 'parent_ready' was declared here +/build/reproducible-path/cp2k-2025.1/src/tmc/tmc_analysis.F:1131:85: + + 1131 | REAL(KIND=dp) :: aver_box_scale(3), vol, voldr + | ^~~~~ +Warning: 'voldr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_tree_acceptance.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/motion/neb_io.F:435:55: + + 435 | logger%iter_info%project_name = replica_proj_name + | 1 +Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_io.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_worm.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_worm.F helium_worm.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_worm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_worm.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_util.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'vibrational_analysis.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/motion/gopt_f_methods.F:1118:14: 1118 | CPASSERT((SIZE(x) == idg + 6)) @@ -64398,10 +64420,18 @@ 1082 | INTEGER :: i, iatom, idg, j, natom, nparticle, & | ^~~ note: 'idg' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_worker.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'neb_io.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_setup.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_setup.F tmc_setup.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_analysis.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_messages.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_master.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_master.F tmc_master.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_worker.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_worker.F tmc_worker.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_master.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_master.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:37 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_worker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_worker.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gopt_f_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bfgs_optimizer.o' due to: target does not exist @@ -64410,59 +64440,65 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cg_optimizer.F cg_optimizer.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_lbfgs_optimizer_gopt.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs_optimizer_gopt.F cp_lbfgs_optimizer_gopt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_setup.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_setup.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/bfgs_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' bfgs_optimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cg_optimizer.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:46 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_optimizer_gopt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cp_lbfgs_optimizer_gopt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/bfgs_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' bfgs_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cg_optimizer.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cg_optimizer.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:38 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_optimizer_gopt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cp_lbfgs_optimizer_gopt.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:178: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/nequip_unittest.psmp' due to: target does not exist +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:40 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/nequip_unittest.psmp nequip_unittest.o -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kdbx -lcp2kdbm -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs_optimizer_gopt.F:341:4: 341 | SUBROUTINE cp_opt_gopt_get(optimizer, para_env, & | ^~~~~~~~~~~~~~~~~~~~~~~~~~ Warning: 'cp_opt_gopt_get' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'vibrational_analysis.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_master.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cg_optimizer.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'shell_opt.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/shell_opt.F shell_opt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:49 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/shell_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' shell_opt.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_setup.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a' due to: target does not exist -echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a" -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a tmc_setup.o tmc_tree_search.o tmc_move_types.o tmc_file_io.o tmc_master.o tmc_utils.o tmc_messages.o tmc_calculations.o tmc_tree_types.o tmc_cancelation.o tmc_tree_references.o tmc_tree_build.o tmc_worker.o tmc_stati.o tmc_types.o tmc_analysis.o tmc_tree_acceptance.o tmc_moves.o input_cp2k_tmc.o tmc_dot_tree.o tmc_move_handle.o tmc_analysis_types.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'shell_opt.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:41 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/shell_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' shell_opt.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_worker.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_vel_utils.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_vel_utils.F md_vel_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'integrator.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/integrator.F integrator.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:50 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_vel_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_vel_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:50 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' integrator.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tmc_setup.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_setup.F tmc_setup.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"tmc/tmc_setup.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/tmc/' tmc_setup.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bfgs_optimizer.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_lbfgs_optimizer_gopt.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_lbfgs_geo.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs_geo.F cp_lbfgs_geo.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:51 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_geo.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cp_lbfgs_geo.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_worm.mod' due to: target does not exist +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:44 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cp_lbfgs_geo.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cp_lbfgs_geo.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'shell_opt.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_sampling.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_sampling.F helium_sampling.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_sampling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_sampling.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'integrator.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/integrator.F integrator.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_vel_utils.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_vel_utils.F md_vel_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/integrator.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' integrator.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_vel_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_vel_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_lbfgs_geo.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'geo_opt.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/geo_opt.F geo_opt.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cell_opt.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/cell_opt.F cell_opt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/geo_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' geo_opt.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:53 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cell_opt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/cell_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' cell_opt.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/geo_opt.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' geo_opt.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_worm.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_sampling.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_sampling.F helium_sampling.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:48 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_sampling.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_sampling.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_setup.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a" +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a tmc_file_io.o tmc_master.o tmc_stati.o tmc_dot_tree.o tmc_move_types.o input_cp2k_tmc.o tmc_utils.o tmc_worker.o tmc_tree_acceptance.o tmc_analysis_types.o tmc_tree_types.o tmc_tree_references.o tmc_setup.o tmc_types.o tmc_cancelation.o tmc_analysis.o tmc_calculations.o tmc_tree_build.o tmc_moves.o tmc_messages.o tmc_move_handle.o tmc_tree_search.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktmc.a /build/reproducible-path/cp2k-2025.1/src/motion/integrator.F:1584:61: 1584 | element_kind_ref0 = particle_set(i)%atomic_kind%name @@ -64473,6 +64509,13 @@ 1606 | element_kind_ref0 = particle_set(i)%atomic_kind%name | 1 Warning: CHARACTER expression will be truncated in assignment (2/80) at (1) [-Wcharacter-truncation] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_opt.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'geo_opt.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dimer_methods.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/dimer_methods.F dimer_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:49 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dimer_methods.F90 /build/reproducible-path/cp2k-2025.1/src/motion/md_vel_utils.F:821:33: 821 | IF (simpar%nfree /= 0 .AND. (force_rescaling .OR. rescale_regions)) THEN @@ -64483,13 +64526,6 @@ 706 | rescale_regions, shellvel_explicit, shellvel_read | ^~~~~~~~~~~~~~~ note: 'rescale_regions' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cell_opt.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'geo_opt.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dimer_methods.o' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/dimer_methods.F dimer_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:54 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/dimer_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' dimer_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_vel_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/motion/integrator.F:529:27: @@ -64502,23 +64538,23 @@ 402 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: v_old | ^~~~~ note: 'v_old.dim[1].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dimer_methods.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'integrator.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'velocity_verlet_control.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/velocity_verlet_control.F velocity_verlet_control.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:56 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/velocity_verlet_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' velocity_verlet_control.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dimer_methods.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:57 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/velocity_verlet_control.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' velocity_verlet_control.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'velocity_verlet_control.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_run.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/md_run.F md_run.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:57 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_run.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_run.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:23:59 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/md_run.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' md_run.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_sampling.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'helium_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/helium_methods.F helium_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:03:58 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:00 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/helium_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' helium_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'md_run.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'neb_utils.o' due to: target does not exist @@ -64531,16 +64567,16 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/glbopt_worker.F glbopt_worker.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'tamc_run.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/tamc_run.F tamc_run.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f77_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_f77_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_worker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_worker.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_moves.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_moves.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:01 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/tamc_run.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' tamc_run.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/gopt_f77_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' gopt_f77_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_moves.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_moves.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/glbopt_worker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' glbopt_worker.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:08 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/tamc_run.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' tamc_run.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'glbopt_worker.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm_worker.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm_worker.F swarm_worker.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:03 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_worker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_worker.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:10 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm_worker.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm_worker.F90 /build/reproducible-path/cp2k-2025.1/src/motion/helium_methods.F:439:16: 439 | IF (expl_pot) THEN @@ -64555,11 +64591,12 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'swarm.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/swarm/swarm.F swarm.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:04 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"swarm/swarm.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/swarm/' swarm.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pint_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/pint_methods.F pint_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:13 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_methods.F90 /build/reproducible-path/cp2k-2025.1/src/motion/neb_utils.F:482:46: 482 | forces%wrk(:, 1) = tmp_a ! Image A @@ -64575,43 +64612,47 @@ /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a swarm.o glbopt_input.o glbopt_history.o glbopt_master.o swarm_message.o swarm_master.o glbopt_worker.o glbopt_mincrawl.o glbopt_minhop.o swarm_input.o swarm_worker.o swarm_mpi.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a glbopt_input.o swarm_master.o glbopt_minhop.o swarm_worker.o swarm_mpi.o swarm_input.o glbopt_history.o glbopt_worker.o swarm_message.o swarm.o glbopt_master.o glbopt_mincrawl.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/pint_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' pint_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_moves.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_ensembles.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ensembles.F mc_ensembles.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:05 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ensembles.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_ensembles.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:15 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_ensembles.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_ensembles.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'neb_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'neb_opt_utils.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/neb_opt_utils.F neb_opt_utils.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:06 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_opt_utils.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:17 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_opt_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_opt_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tamc_run.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/motion/pint_methods.F:793:4: + + 793 | SUBROUTINE pint_test(para_env, input, input_declaration) + | ^~~~~~~~~~~~~~~~~~~~ +Warning: 'pint_test' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'neb_opt_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'neb_methods.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/neb_methods.F neb_methods.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:08 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_methods.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:21 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/neb_methods.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/' neb_methods.F90 /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ensembles.F:142:46: 142 | start_atom_swap, start_atom_target, start_mol | ^~~~~~~~~ Warning: 'start_mol' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/motion/pint_methods.F:793:4: - - 793 | SUBROUTINE pint_test(para_env, input, input_declaration) - | ^~~~~~~~~~~~~~~~~~~~ -Warning: 'pint_test' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mc_ensembles.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_run.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_run.F mc_run.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:10 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_run.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_run.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:23 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"motion/mc/mc_run.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/motion/mc/' mc_run.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'neb_methods.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/motion/pint_methods.F:1932:93: + + 1932 | REAL(kind=dp) :: dt_temp, dti, dti2, dti22, e_h, factor, & + | ^~~~~~ +Warning: 'factor' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_run.F:171:36: 171 | ALLOCATE (force_env(1:nboxes)) @@ -64627,49 +64668,44 @@ /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a tamc_run.o mc_ge_moves.o mc_coordinates.o mc_moves.o mc_control.o mc_ensembles.o mc_move_control.o mc_run.o mc_types.o mc_environment_types.o mc_misc.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a mc_moves.o mc_ge_moves.o mc_run.o tamc_run.o mc_move_control.o mc_coordinates.o mc_ensembles.o mc_control.o mc_environment_types.o mc_types.o mc_misc.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a -/build/reproducible-path/cp2k-2025.1/src/motion/pint_methods.F:1932:93: - - 1932 | REAL(kind=dp) :: dt_temp, dti, dti2, dti22, e_h, factor, & - | ^~~~~~ -Warning: 'factor' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a" /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_methods.mod' due to: target does not exist true Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a geo_opt.o helium_sampling.o averages_types.o pint_public.o md_ener_types.o cell_opt_types.o helium_worm.o reftraj_types.o input_cp2k_restarts.o free_energy_methods.o cp_lbfgs_optimizer_gopt.o neb_utils.o cell_opt.o gopt_param_types.o pint_piglet.o simpar_methods.o thermal_region_utils.o input_cp2k_md.o cg_utils.o pint_qtb.o md_conserved_quantities.o pint_methods.o gopt_f77_methods.o rt_propagation.o helium_types.o cp_lbfgs.o helium_common.o pint_transformations.o md_environment_types.o reftraj_util.o integrator.o gopt_f_types.o dimer_types.o neb_opt_utils.o helium_nnp.o md_vel_utils.o helium_methods.o space_groups.o md_util.o pint_io.o pint_staging.o neb_types.o helium_interactions.o bfgs_optimizer.o pint_types.o cell_opt_utils.o velocity_verlet_control.o shell_opt.o glbopt_callback.o gopt_f_methods.o dimer_utils.o pint_normalmode.o mdctrl_methods.o helium_io.o md_run.o neb_io.o thermal_region_types.o vibrational_analysis.o neb_methods.o dimer_methods.o cg_optimizer.o space_groups_types.o md_energies.o input_cp2k_vib.o neb_md_utils.o pint_pile.o pint_gle.o cp_lbfgs_geo.o wiener_process.o integrator_utils.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a vibrational_analysis.o helium_common.o pint_staging.o thermal_region_utils.o cp_lbfgs.o helium_types.o pint_types.o dimer_methods.o averages_types.o cp_lbfgs_optimizer_gopt.o velocity_verlet_control.o simpar_methods.o geo_opt.o free_energy_methods.o neb_utils.o md_util.o neb_types.o helium_worm.o cell_opt_types.o gopt_f_types.o pint_qtb.o md_environment_types.o pint_public.o helium_io.o rt_propagation.o pint_transformations.o space_groups_types.o wiener_process.o shell_opt.o reftraj_types.o md_ener_types.o pint_pile.o pint_gle.o pint_normalmode.o cell_opt.o input_cp2k_vib.o integrator_utils.o bfgs_optimizer.o reftraj_util.o helium_nnp.o helium_sampling.o gopt_param_types.o neb_methods.o glbopt_callback.o neb_opt_utils.o integrator.o gopt_f77_methods.o pint_io.o thermal_region_types.o md_run.o dimer_types.o cp_lbfgs_geo.o pint_piglet.o md_vel_utils.o helium_methods.o neb_io.o helium_interactions.o dimer_utils.o mdctrl_methods.o input_cp2k_md.o input_cp2k_restarts.o space_groups.o cg_optimizer.o pint_methods.o cell_opt_utils.o neb_md_utils.o cg_utils.o md_energies.o md_conserved_quantities.o gopt_f_methods.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmotion.a /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp2k_runs.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/start/cp2k_runs.F cp2k_runs.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:16 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' cp2k_runs.F90 -/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:146: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dumpdcd.psmp' due to: target does not exist -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:16 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dumpdcd.psmp dumpdcd.o -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kdbx -lcp2kdbm -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:150: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/xyz2dcd.psmp' due to: target does not exist -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:16 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/xyz2dcd.psmp xyz2dcd.o -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kdbx -lcp2kdbm -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_runs.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' cp2k_runs.F90 +/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:150: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dumpdcd.psmp' due to: target does not exist +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/dumpdcd.psmp dumpdcd.o -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kdbx -lcp2kdbm -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:154: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/xyz2dcd.psmp' due to: target does not exist +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:34 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/xyz2dcd.psmp xyz2dcd.o -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kdbx -lcp2kdbm -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp2k_runs.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp2k_shell.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/start/cp2k_shell.F cp2k_shell.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'libcp2k.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/start/libcp2k.F libcp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_shell.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' cp2k_shell.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:21 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' libcp2k.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k_shell.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' cp2k_shell.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:43 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/libcp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' libcp2k.F90 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp2k_shell.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp2k.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/start/cp2k.F cp2k.F90 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:23 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' cp2k.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:45 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"start/cp2k.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/start/' cp2k.F90 /build/reproducible-path/cp2k-2025.1/Makefile:542: update target '/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a' due to: target does not exist echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a libcp2k.o cp2k_shell.o input_cp2k.o cp2k_runs.o input_cp2k_motion.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a input_cp2k.o cp2k_runs.o input_cp2k_motion.o cp2k_shell.o libcp2k.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a -/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:166: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/cp2k.psmp' due to: target does not exist -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:24 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/cp2k.psmp cp2k.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kdbx -lcp2kdbm -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa -/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:182: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/libcp2k_unittest.psmp' due to: target does not exist -mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Sep 11 00:04:24 -12 2025\"" -D__COMPILE_HOST="\"ionos1-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/libcp2k_unittest.psmp libcp2k_unittest.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kdbx -lcp2kdbm -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:194: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/libcp2k_unittest.psmp' due to: target does not exist +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/libcp2k_unittest.psmp libcp2k_unittest.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kdbx -lcp2kdbm -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa +/build/reproducible-path/cp2k-2025.1/obj/Linux-x86_64-gfortran/psmp/all.dep:174: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/cp2k.psmp' due to: target does not exist +mpif90 -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Thu Oct 15 07:24:47 +14 2026\"" -D__COMPILE_HOST="\"i-capture-the-hostname\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -L/build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp -o /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/cp2k.psmp cp2k.o -lcp2kstart -lcp2kmc -lcp2kswarm -lcp2kmotion -lcp2kthermostat -lcp2kemd -lcp2ktmc -lcp2kmain -lcp2kdbt -lcp2ktas -lcp2kgrid -lcp2kgriddgemm -lcp2kgridcpu -lcp2kgridref -lcp2kgridcommon -ldbcsrarnoldi -ldbcsrx -lcp2kdbx -lcp2kdbm -lcp2kshg_int -lcp2keri_mme -lcp2kminimax -lcp2khfxbase -lcp2ksubsys -lcp2kxc -lcp2kao -lcp2kpw_env -lcp2kinput -lcp2kpw -lcp2kgpu -lcp2kfft -lcp2kfpga -lcp2kfm -lcp2kcommon -lcp2koffload -lcp2kmpiwrap -lcp2kbase -ldbcsr -llapack -lblas -lfftw3 -lfftw3_threads -lint2 -lstdc++ -lxc -lxcf03 -lsymspg -L/usr/lib/x86_64-linux-gnu/openmpi/lib -lmpi_usempif08 -lmpi_usempi_ignore_tkr -lmpi_mpifh -lmpi -lscalapack-openmpi -lscalapack-openmpi -lelpa /build/reproducible-path/cp2k-2025.1/Makefile:252: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/cp2k_shell.psmp' due to: target does not exist cd /build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran; ln -sf cp2k.psmp cp2k_shell.psmp /build/reproducible-path/cp2k-2025.1/Makefile:249: update target '/build/reproducible-path/cp2k-2025.1/exe/Linux-x86_64-gfortran/cp2k.popt' due to: target does not exist @@ -64679,7 +64715,7 @@ # cannot be done in a build-indep section cd docs && \ /build/reproducible-path/cp2k-2025.1/exe/*/cp2k.psmp --xml && \ - ./generate_input_reference.py ./cp2k_input.xml && make html SPHINXOPTS="-W -n --keep-going --jobs 40" + ./generate_input_reference.py ./cp2k_input.xml && make html SPHINXOPTS="-W -n --keep-going --jobs 42" Wrote /build/reproducible-path/cp2k-2025.1/docs/bibliography.md Wrote /build/reproducible-path/cp2k-2025.1/docs/units.md Wrote /build/reproducible-path/cp2k-2025.1/docs/CP2K_INPUT.md @@ -67342,120 +67378,124 @@ Generated markdown files for 2656 input sections. make[2]: Entering directory '/build/reproducible-path/cp2k-2025.1/docs' Makefile:21: update target 'html' due to: target does not exist -sphinx-build -M html "." "_build" -W -n --keep-going --jobs 40 +sphinx-build -M html "." "_build" -W -n --keep-going --jobs 42 Running Sphinx v8.2.3 loading translations [en]... done -myst v4.0.1: MdParserConfig(commonmark_only=False, gfm_only=False, enable_extensions={'dollarmath', 'smartquotes', 'attrs_inline', 'strikethrough'}, disable_syntax=[], all_links_external=False, links_external_new_tab=False, url_schemes=('http', 'https', 'mailto', 'ftp'), ref_domains=None, fence_as_directive={'mermaid'}, number_code_blocks=[], title_to_header=False, heading_anchors=0, heading_slug_func=None, html_meta={}, footnote_sort=True, footnote_transition=True, words_per_minute=200, substitutions={}, linkify_fuzzy_links=True, dmath_allow_labels=True, dmath_allow_space=True, dmath_allow_digits=True, dmath_double_inline=False, update_mathjax=True, mathjax_classes='tex2jax_process|mathjax_process|math|output_area', enable_checkboxes=False, suppress_warnings=[], highlight_code_blocks=True) +myst v4.0.1: MdParserConfig(commonmark_only=False, gfm_only=False, enable_extensions={'smartquotes', 'attrs_inline', 'dollarmath', 'strikethrough'}, disable_syntax=[], all_links_external=False, links_external_new_tab=False, url_schemes=('http', 'https', 'mailto', 'ftp'), ref_domains=None, fence_as_directive={'mermaid'}, number_code_blocks=[], title_to_header=False, heading_anchors=0, heading_slug_func=None, html_meta={}, footnote_sort=True, footnote_transition=True, words_per_minute=200, substitutions={}, linkify_fuzzy_links=True, dmath_allow_labels=True, dmath_allow_space=True, dmath_allow_digits=True, dmath_double_inline=False, update_mathjax=True, mathjax_classes='tex2jax_process|mathjax_process|math|output_area', enable_checkboxes=False, suppress_warnings=[], highlight_code_blocks=True) building [mo]: targets for 0 po files that are out of date writing output... building [html]: targets for 2732 source files that are out of date updating environment: [new config] 2732 added, 0 changed, 0 removed -reading sources... [ 1%] CP2K_INPUT .. CP2K_INPUT/ATOM/METHOD/XC/HF/RI/PRINT/RI_METRIC_2C_INTS/EACH -reading sources... [ 2%] CP2K_INPUT/ATOM/METHOD/XC/HF/SCREENING .. CP2K_INPUT/ATOM/METHOD/XC/VDW_POTENTIAL/PAIR_POTENTIAL/PRINT_DFTD -reading sources... [ 3%] CP2K_INPUT/ATOM/METHOD/XC/VDW_POTENTIAL/PAIR_POTENTIAL/PRINT_DFTD/EACH .. CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/GW/BSE/BSE_SPECTRUM -reading sources... [ 4%] CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/GW/BSE/NTO_ANALYSIS .. CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_METRIC_2C_INTS -reading sources... [ 5%] CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_METRIC_2C_INTS/EACH .. CP2K_INPUT/ATOM/PRINT/BASIS_SET/EACH -reading sources... [ 6%] CP2K_INPUT/ATOM/PRINT/FIT_BASIS .. CP2K_INPUT/ATOM/PRINT/UPF_FILE/EACH -reading sources... [ 7%] CP2K_INPUT/DEBUG .. CP2K_INPUT/FORCE_EVAL/DFT/ACTIVE_SPACE/FCIDUMP/EACH -reading sources... [ 8%] CP2K_INPUT/FORCE_EVAL/DFT/ACTIVE_SPACE/LOCALIZE .. CP2K_INPUT/FORCE_EVAL/DFT/ACTIVE_SPACE/LOCALIZE/PRINT/WANNIER_STATES/EACH -reading sources... [ 8%] CP2K_INPUT/FORCE_EVAL/DFT/ACTIVE_SPACE/PRINT_ORBITAL_CUBES .. CP2K_INPUT/FORCE_EVAL/DFT/EFIELD/GAUSSIAN_ENV -reading sources... [ 9%] CP2K_INPUT/FORCE_EVAL/DFT/EFIELD/RAMP_ENV .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/HF/RI/PRINT/RI_DENSITY_COEFFS/EACH -reading sources... [ 10%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/HF/RI/PRINT/RI_INFO .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/VDW_POTENTIAL -reading sources... [ 11%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/VDW_POTENTIAL/NON_LOCAL .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/RI_RPA/EXCHANGE_CORRECTION -reading sources... [ 12%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/RI_RPA/GW .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_DENSITY_COEFFS -reading sources... [ 13%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_DENSITY_COEFFS/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/GCP_POTENTIAL -reading sources... [ 14%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/HF .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/HFX_KERNEL/HF/LOAD_BALANCE/PRINT/EACH -reading sources... [ 15%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/HFX_KERNEL/HF/MEMORY .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/INTEGRALS/ERI_MME/ERI_MME_INFO/EACH -reading sources... [ 16%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/INTEGRALS/INTERACTION_POTENTIAL .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/RI_RPA/GW/PRINT/LOCAL_BANDGAP -reading sources... [ 17%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/RI_RPA/GW/PRINT/LOCAL_BANDGAP/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/KPOINTS -reading sources... [ 18%] CP2K_INPUT/FORCE_EVAL/DFT/LOCALIZE .. CP2K_INPUT/FORCE_EVAL/DFT/LOCALIZE/PRINT/WANNIER_STATES/EACH -reading sources... [ 19%] CP2K_INPUT/FORCE_EVAL/DFT/LOW_SPIN_ROKS .. CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF/PAO/PRINT/ML_VARIANCE/EACH -reading sources... [ 20%] CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF/PAO/PRINT/OPT_INFO .. CP2K_INPUT/FORCE_EVAL/DFT/POISSON/IMPLICIT/DIRICHLET_BC -reading sources... [ 21%] CP2K_INPUT/FORCE_EVAL/DFT/POISSON/IMPLICIT/DIRICHLET_BC/AA_CUBOIDAL .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/CHARGEMOL -reading sources... [ 22%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/CHARGEMOL/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/E_DENSITY_BQB/EACH -reading sources... [ 23%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/E_DENSITY_CUBE .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/IAO_ANALYSIS/ONE_CENTER_EXPANSION -reading sources... [ 24%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/IAO_ANALYSIS/ONE_CENTER_EXPANSION/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/MINBAS_ANALYSIS/MINBAS_CUBE/EACH -reading sources... [ 25%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/MINBAS_ANALYSIS/MINBAS_MOLDEN .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/PROGRAM_BANNER/EACH -reading sources... [ 25%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/SCCS .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/V_XC_CUBE -reading sources... [ 26%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/V_XC_CUBE/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/QS/MULLIKEN_RESTRAINT -reading sources... [ 27%] CP2K_INPUT/FORCE_EVAL/DFT/QS/OPTIMIZE_LRI_BASIS .. CP2K_INPUT/FORCE_EVAL/DFT/QS/SE/PRINT/SUBCELL -reading sources... [ 28%] CP2K_INPUT/FORCE_EVAL/DFT/QS/SE/PRINT/SUBCELL/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/REAL_TIME_PROPAGATION/PRINT/PROJECTION_MO -reading sources... [ 29%] CP2K_INPUT/FORCE_EVAL/DFT/REAL_TIME_PROPAGATION/PRINT/PROJECTION_MO/PRINT .. CP2K_INPUT/FORCE_EVAL/DFT/SCF/PRINT/DAVIDSON/EACH -reading sources... [ 30%] CP2K_INPUT/FORCE_EVAL/DFT/SCF/PRINT/DETAILED_ENERGY .. CP2K_INPUT/FORCE_EVAL/DFT/SCRF -reading sources... [ 31%] CP2K_INPUT/FORCE_EVAL/DFT/SCRF/PROGRAM_RUN_INFO .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/HF/RI/PRINT/RI_INFO -reading sources... [ 32%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/HF/RI/PRINT/RI_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/VDW_POTENTIAL/NON_LOCAL -reading sources... [ 33%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/VDW_POTENTIAL/PAIR_POTENTIAL .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/RI_RPA/GW -reading sources... [ 34%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/RI_RPA/GW/BSE .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_DENSITY_COEFFS/EACH -reading sources... [ 35%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_INFO .. CP2K_INPUT/FORCE_EVAL/DFT/XAS/LOCALIZE/PRINT/MOLECULAR_MOMENTS -reading sources... [ 36%] CP2K_INPUT/FORCE_EVAL/DFT/XAS/LOCALIZE/PRINT/MOLECULAR_MOMENTS/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/XAS/PRINT/ITERATION_INFO/EACH -reading sources... [ 37%] CP2K_INPUT/FORCE_EVAL/DFT/XAS/PRINT/LOC_RESTART .. CP2K_INPUT/FORCE_EVAL/DFT/XAS/SCF/DIAGONALIZATION/FILTER_MATRIX -reading sources... [ 38%] CP2K_INPUT/FORCE_EVAL/DFT/XAS/SCF/DIAGONALIZATION/KRYLOV .. CP2K_INPUT/FORCE_EVAL/DFT/XAS/SCF/PRINT/MO_ORTHONORMALITY/EACH -reading sources... [ 39%] CP2K_INPUT/FORCE_EVAL/DFT/XAS/SCF/PRINT/PROGRAM_RUN_INFO .. CP2K_INPUT/FORCE_EVAL/DFT/XAS_TDP/PRINT/RESTART/EACH -reading sources... [ 40%] CP2K_INPUT/FORCE_EVAL/DFT/XAS_TDP/PRINT/RESTART_WFN .. CP2K_INPUT/FORCE_EVAL/DFT/XC/HFX_KERNEL -reading sources... [ 41%] CP2K_INPUT/FORCE_EVAL/DFT/XC/HFX_KERNEL/HF .. CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION -reading sources... [ 42%] CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/CANONICAL_GRADIENTS .. CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/RI_RPA/GW/BSE/NTO_ANALYSIS/EACH -reading sources... [ 42%] CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/RI_RPA/GW/BSE/SCREENING_IN_W .. CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/RI_RPA/HF/SCREENING -reading sources... [ 43%] CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/RI_SOS_MP2 .. CP2K_INPUT/FORCE_EVAL/EMBED/MAPPING/FORCE_EVAL_EMBED/FRAGMENT -reading sources... [ 44%] CP2K_INPUT/FORCE_EVAL/EMBED/PRINT .. CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD -reading sources... [ 45%] CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/BEND .. CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED/QUIP -reading sources... [ 46%] CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED/SIEPMANN .. CP2K_INPUT/FORCE_EVAL/MM/POISSON/IMPLICIT/DIELECTRIC/DIELEC_AA_CUBOIDAL -reading sources... [ 47%] CP2K_INPUT/FORCE_EVAL/MM/POISSON/IMPLICIT/DIELECTRIC/DIELEC_XAA_ANNULAR .. CP2K_INPUT/FORCE_EVAL/MM/PRINT/FF_PARAMETER_FILE -reading sources... [ 48%] CP2K_INPUT/FORCE_EVAL/MM/PRINT/FF_PARAMETER_FILE/EACH .. CP2K_INPUT/FORCE_EVAL/NNP/PRINT/FORCES/EACH -reading sources... [ 49%] CP2K_INPUT/FORCE_EVAL/NNP/PRINT/FORCES_SIGMA .. CP2K_INPUT/FORCE_EVAL/PROPERTIES -reading sources... [ 50%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/ATOMIC .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/ET_COUPLING/PROJECTION/PRINT/COUPLINGS -reading sources... [ 51%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/ET_COUPLING/PROJECTION/PRINT/COUPLINGS/EACH .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/INTERPOLATOR/CONV_INFO/EACH -reading sources... [ 52%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/HFX_KERNEL/HF -reading sources... [ 53%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/HFX_KERNEL/HF/HF_INFO .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/CANONICAL_GRADIENTS -reading sources... [ 54%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/CANONICAL_GRADIENTS/CPHF .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/RI_RPA/GW/BSE/SCREENING_IN_W -reading sources... [ 55%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/RI_RPA/GW/IC .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/RI_SOS_MP2 -reading sources... [ 56%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/XC_FUNCTIONAL .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/LOCALIZE/PRINT/WANNIER_CENTERS -reading sources... [ 57%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/LOCALIZE/PRINT/WANNIER_CENTERS/EACH .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/POLAR/PRINT/POLAR_MATRIX -reading sources... [ 58%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/POLAR/PRINT/POLAR_MATRIX/EACH .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/RESP/PRINT/PROGRAM_RUN_INFO -reading sources... [ 58%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/RESP/PRINT/PROGRAM_RUN_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/PRINT/MOS_MOLDEN/EACH -reading sources... [ 59%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/PRINT/NAMD_PRINT .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/HF/RI/PRINT -reading sources... [ 60%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/HF/RI/PRINT/RI_DENSITY_COEFFS .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/HFX_KERNEL/HF/SCREENING -reading sources... [ 61%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/HFX_KERNEL/HFXLR .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/RI_MP2 -reading sources... [ 62%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/RI_RPA .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/RI_RPA/HF/RI -reading sources... [ 63%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT .. CP2K_INPUT/FORCE_EVAL/QMMM/FORCEFIELD/NONBONDED14 -reading sources... [ 64%] CP2K_INPUT/FORCE_EVAL/QMMM/FORCEFIELD/NONBONDED14/GENPOT .. CP2K_INPUT/FORCE_EVAL/QMMM/IMAGE_CHARGE/ERI_MME/ERI_MME_INFO -reading sources... [ 65%] CP2K_INPUT/FORCE_EVAL/QMMM/IMAGE_CHARGE/ERI_MME/ERI_MME_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/QMMM/PERIODIC/POISSON/EWALD -reading sources... [ 66%] CP2K_INPUT/FORCE_EVAL/QMMM/PERIODIC/POISSON/EWALD/MULTIPOLES .. CP2K_INPUT/FORCE_EVAL/QMMM/PRINT/DERIVATIVES -reading sources... [ 67%] CP2K_INPUT/FORCE_EVAL/QMMM/PRINT/DERIVATIVES/EACH .. CP2K_INPUT/FORCE_EVAL/QMMM/PRINT/QMMM_MATRIX -reading sources... [ 68%] CP2K_INPUT/FORCE_EVAL/QMMM/PRINT/QMMM_MATRIX/EACH .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/ANGLE/POINT -reading sources... [ 69%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/ANGLE_PLANE_PLANE .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/PRINT/PROGRAM_RUN_INFO -reading sources... [ 70%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/PRINT/PROGRAM_RUN_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR -reading sources... [ 71%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR/ACID_HYDRONIUM_DISTANCE .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR/HYDRONIUM_SHELL -reading sources... [ 72%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR/POPULATION .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/MAP/EACH -reading sources... [ 73%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FUNCTION .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/ANGLE_PLANE_PLANE/POINT -reading sources... [ 74%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/BOND_ROTATION .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/QPARM/POINT -reading sources... [ 75%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/RING_PUCKERING .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/TORSION/POINT -reading sources... [ 75%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/U .. CP2K_INPUT/FORCE_EVAL/SUBSYS/PRINT -reading sources... [ 76%] CP2K_INPUT/FORCE_EVAL/SUBSYS/PRINT/ATOMIC_COORDINATES .. CP2K_INPUT/FORCE_EVAL/SUBSYS/TOPOLOGY/DUMP_PSF -reading sources... [ 77%] CP2K_INPUT/FORCE_EVAL/SUBSYS/TOPOLOGY/DUMP_PSF/EACH .. CP2K_INPUT/GLOBAL/DBCSR/ACC -reading sources... [ 78%] CP2K_INPUT/GLOBAL/DBCSR/TENSOR .. CP2K_INPUT/MOTION/BAND/OPTIMIZE_BAND/DIIS -reading sources... [ 79%] CP2K_INPUT/MOTION/BAND/OPTIMIZE_BAND/DIIS/DIIS_INFO .. CP2K_INPUT/MOTION/CELL_OPT/PRINT/PROGRAM_RUN_INFO -reading sources... [ 80%] CP2K_INPUT/MOTION/CELL_OPT/PRINT/PROGRAM_RUN_INFO/EACH .. CP2K_INPUT/MOTION/FLEXIBLE_PARTITIONING/WEIGHTS/EACH -reading sources... [ 81%] CP2K_INPUT/MOTION/FREE_ENERGY .. CP2K_INPUT/MOTION/FREE_ENERGY/METADYN/PRINT/TEMPERATURE_COLVAR/EACH -reading sources... [ 82%] CP2K_INPUT/MOTION/FREE_ENERGY/METADYN/SPAWNED_HILLS_HEIGHT .. CP2K_INPUT/MOTION/GEO_OPT/TRANSITION_STATE/DIMER/ROT_OPT/BFGS/RESTART/EACH -reading sources... [ 83%] CP2K_INPUT/MOTION/GEO_OPT/TRANSITION_STATE/DIMER/ROT_OPT/CG .. CP2K_INPUT/MOTION/MD/ADIABATIC_DYNAMICS/THERMOSTAT_FAST/NOSE/FORCE -reading sources... [ 84%] CP2K_INPUT/MOTION/MD/ADIABATIC_DYNAMICS/THERMOSTAT_FAST/NOSE/MASS .. CP2K_INPUT/MOTION/MD/BAROSTAT/THERMOSTAT/GLE -reading sources... [ 85%] CP2K_INPUT/MOTION/MD/BAROSTAT/THERMOSTAT/GLE/RNG_INIT .. CP2K_INPUT/MOTION/MD/PRINT/COEFFICIENTS/EACH -reading sources... [ 86%] CP2K_INPUT/MOTION/MD/PRINT/ENERGY .. CP2K_INPUT/MOTION/MD/SHELL/THERMOSTAT/AD_LANGEVIN -reading sources... [ 87%] CP2K_INPUT/MOTION/MD/SHELL/THERMOSTAT/AD_LANGEVIN/CHI .. CP2K_INPUT/MOTION/MD/THERMAL_REGION/PRINT/LANGEVIN_REGIONS -reading sources... [ 88%] CP2K_INPUT/MOTION/MD/THERMAL_REGION/PRINT/LANGEVIN_REGIONS/EACH .. CP2K_INPUT/MOTION/MD/THERMOSTAT/PRINT/THERMOSTAT_INFO -reading sources... [ 89%] CP2K_INPUT/MOTION/MD/THERMOSTAT/PRINT/THERMOSTAT_INFO/EACH .. CP2K_INPUT/MOTION/PINT/HELIUM/NNP/SR_CUTOFF -reading sources... [ 90%] CP2K_INPUT/MOTION/PINT/HELIUM/PERM .. CP2K_INPUT/MOTION/PINT/HELIUM/PRINT/PROJECTED_AREA_2_AVG/EACH -reading sources... [ 91%] CP2K_INPUT/MOTION/PINT/HELIUM/PRINT/RDF .. CP2K_INPUT/MOTION/PINT/PRINT/CENTROID_GYR -reading sources... [ 92%] CP2K_INPUT/MOTION/PINT/PRINT/CENTROID_GYR/EACH .. CP2K_INPUT/MOTION/PRINT/MIXED_ENERGIES -reading sources... [ 92%] CP2K_INPUT/MOTION/PRINT/MIXED_ENERGIES/EACH .. CP2K_INPUT/MOTION/SHELL_OPT/BFGS/RESTART -reading sources... [ 93%] CP2K_INPUT/MOTION/SHELL_OPT/BFGS/RESTART/EACH .. CP2K_INPUT/NEGF/CONTACT/SCREENING_REGION -reading sources... [ 94%] CP2K_INPUT/NEGF/MIXING .. CP2K_INPUT/OPTIMIZE_INPUT/VARIABLE -reading sources... [ 95%] CP2K_INPUT/SWARM .. CP2K_INPUT/TEST/ERI_MME_TEST/ERI_MME/ERI_MME_INFO/EACH -reading sources... [ 96%] CP2K_INPUT/TEST/GRID_INFORMATION .. CP2K_INPUT/VIBRATIONAL_ANALYSIS/PRINT/NAMD_PRINT/EACH -reading sources... [ 97%] CP2K_INPUT/VIBRATIONAL_ANALYSIS/PRINT/PROGRAM_RUN_INFO .. methods/embedding/kim-gordon -reading sources... [ 98%] methods/embedding/qm_qm .. methods/properties/x-ray/correction_scheme -reading sources... [ 99%] methods/properties/x-ray/delta-kick .. technologies/eigensolvers/index -reading sources... [100%] units .. versions +reading sources... [ 1%] CP2K_INPUT .. CP2K_INPUT/ATOM/METHOD/XC/HF/RI/PRINT/RI_METRIC_2C_INTS +reading sources... [ 2%] CP2K_INPUT/ATOM/METHOD/XC/HF/RI/PRINT/RI_METRIC_2C_INTS/EACH .. CP2K_INPUT/ATOM/METHOD/XC/VDW_POTENTIAL/PAIR_POTENTIAL +reading sources... [ 3%] CP2K_INPUT/ATOM/METHOD/XC/VDW_POTENTIAL/PAIR_POTENTIAL/EEQ .. CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/GW +reading sources... [ 4%] CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/GW/BSE .. CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_DENSITY_COEFFS +reading sources... [ 5%] CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_DENSITY_COEFFS/EACH .. CP2K_INPUT/ATOM/PRINT/ADMM/ADMM_BASIS/BASIS +reading sources... [ 5%] CP2K_INPUT/ATOM/PRINT/ADMM/EACH .. CP2K_INPUT/ATOM/PRINT/RESPONSE_BASIS/EACH +reading sources... [ 6%] CP2K_INPUT/ATOM/PRINT/SCF_INFO .. CP2K_INPUT/FORCE_EVAL/BSSE/PRINT/RESTART +reading sources... [ 7%] CP2K_INPUT/FORCE_EVAL/BSSE/PRINT/RESTART/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/ACTIVE_SPACE/LOCALIZE/PRINT/WANNIER_CENTERS/EACH +reading sources... [ 8%] CP2K_INPUT/FORCE_EVAL/DFT/ACTIVE_SPACE/LOCALIZE/PRINT/WANNIER_CUBES .. CP2K_INPUT/FORCE_EVAL/DFT/ALMO_SCF/XALMO_OPTIMIZER_PCG/XALMO_NEWTON_PCG_SOLVER +reading sources... [ 9%] CP2K_INPUT/FORCE_EVAL/DFT/ALMO_SCF/XALMO_OPTIMIZER_TRUSTR .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/HF/HF_INFO/EACH +reading sources... [ 10%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/HF/INTERACTION_POTENTIAL .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/HFX_KERNEL/HF/PERIODIC +reading sources... [ 11%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/HFX_KERNEL/HF/RI .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/INTEGRALS/INTERACTION_POTENTIAL +reading sources... [ 12%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/INTEGRALS/WFC_GPW .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/RI_RPA/GW/PRINT/LOCAL_BANDGAP +reading sources... [ 13%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/RI_RPA/GW/PRINT/LOCAL_BANDGAP/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/XC_POTENTIAL/SAOP +reading sources... [ 14%] CP2K_INPUT/FORCE_EVAL/DFT/EXCITED_STATES .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/HF/RI/PRINT +reading sources... [ 15%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/HF/RI/PRINT/RI_DENSITY_COEFFS .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/HFX_KERNEL/HF/RI/PRINT/RI_METRIC_2C_INTS/EACH +reading sources... [ 15%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/HFX_KERNEL/HF/SCREENING .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/RI/OPT_RI_BASIS +reading sources... [ 16%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/RI/RI_METRIC .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/RI_RPA/HF/LOAD_BALANCE/PRINT/EACH +reading sources... [ 17%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/RI_RPA/HF/MEMORY .. CP2K_INPUT/FORCE_EVAL/DFT/LOCALIZE/PRINT/MOLECULAR_MOMENTS +reading sources... [ 18%] CP2K_INPUT/FORCE_EVAL/DFT/LOCALIZE/PRINT/MOLECULAR_MOMENTS/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF/CHEBYSHEV/PRINT_SPECIFIC_E_DENSITY_CUBE +reading sources... [ 19%] CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF/CHEBYSHEV/PRINT_SPECIFIC_E_DENSITY_CUBE/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF/PAO/PRINT/RUN_INFO +reading sources... [ 20%] CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF/PAO/PRINT/RUN_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/POISSON/IMPLICIT/DIRICHLET_BC/PLANAR +reading sources... [ 21%] CP2K_INPUT/FORCE_EVAL/DFT/POISSON/MT .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/DERIVATIVES/EACH +reading sources... [ 22%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/DFT_CONTROL_PARAMETERS .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/E_DENSITY_CUBE/EACH +reading sources... [ 23%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/GAPW .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/IAO_ANALYSIS/ONE_CENTER_EXPANSION/EACH +reading sources... [ 24%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/IMPLICIT_PSOLVER .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/MINBAS_ANALYSIS/MINBAS_CUBE/EACH +reading sources... [ 25%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/MINBAS_ANALYSIS/MINBAS_MOLDEN .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/PROGRAM_BANNER +reading sources... [ 25%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/PROGRAM_BANNER/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/V_HARTREE_CUBE +reading sources... [ 26%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/V_HARTREE_CUBE/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/QS/DFTB/PARAMETER +reading sources... [ 27%] CP2K_INPUT/FORCE_EVAL/DFT/QS/DISTRIBUTION .. CP2K_INPUT/FORCE_EVAL/DFT/QS/SE/PRINT/EWALD_INFO +reading sources... [ 28%] CP2K_INPUT/FORCE_EVAL/DFT/QS/SE/PRINT/EWALD_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/REAL_TIME_PROPAGATION/PRINT/MOMENTS_FT/EACH +reading sources... [ 29%] CP2K_INPUT/FORCE_EVAL/DFT/REAL_TIME_PROPAGATION/PRINT/POLARIZABILITY .. CP2K_INPUT/FORCE_EVAL/DFT/SCF/MOM +reading sources... [ 30%] CP2K_INPUT/FORCE_EVAL/DFT/SCF/OT .. CP2K_INPUT/FORCE_EVAL/DFT/SCF/PRINT/RESTART +reading sources... [ 31%] CP2K_INPUT/FORCE_EVAL/DFT/SCF/PRINT/RESTART/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/HF/LOAD_BALANCE/PRINT +reading sources... [ 32%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/HF/LOAD_BALANCE/PRINT/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/HFX_KERNEL/HF/RI/PRINT/RI_DENSITY_COEFFS +reading sources... [ 33%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/HFX_KERNEL/HF/RI/PRINT/RI_DENSITY_COEFFS/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/LOW_SCALING/CPHF +reading sources... [ 34%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/MP2 .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/RI_RPA/HF/HF_INFO +reading sources... [ 35%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/RI_RPA/HF/HF_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/TRANSPORT/CONTACT +reading sources... [ 35%] CP2K_INPUT/FORCE_EVAL/DFT/TRANSPORT/PEXSI .. CP2K_INPUT/FORCE_EVAL/DFT/XAS/LOCALIZE/PRINT/WANNIER_CUBES/EACH +reading sources... [ 36%] CP2K_INPUT/FORCE_EVAL/DFT/XAS/LOCALIZE/PRINT/WANNIER_SPREADS .. CP2K_INPUT/FORCE_EVAL/DFT/XAS/PRINT/WANNIER_CENTERS/EACH +reading sources... [ 37%] CP2K_INPUT/FORCE_EVAL/DFT/XAS/PRINT/WANNIER_CUBES .. CP2K_INPUT/FORCE_EVAL/DFT/XAS/SCF/PRINT/DETAILED_ENERGY +reading sources... [ 38%] CP2K_INPUT/FORCE_EVAL/DFT/XAS/SCF/PRINT/DETAILED_ENERGY/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/XAS_TDP +reading sources... [ 39%] CP2K_INPUT/FORCE_EVAL/DFT/XAS_TDP/DONOR_STATES .. CP2K_INPUT/FORCE_EVAL/DFT/XC/HF/HF_INFO +reading sources... [ 40%] CP2K_INPUT/FORCE_EVAL/DFT/XC/HF/HF_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/XC/HFX_KERNEL/HF/MEMORY +reading sources... [ 41%] CP2K_INPUT/FORCE_EVAL/DFT/XC/HFX_KERNEL/HF/PERIODIC .. CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/INTEGRALS/ERI_MME/ERI_MME_INFO/EACH +reading sources... [ 42%] CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/INTEGRALS/INTERACTION_POTENTIAL .. CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/RI_RPA/GW/PRINT/GW_DOS +reading sources... [ 43%] CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/RI_RPA/GW/PRINT/LOCAL_BANDGAP .. CP2K_INPUT/FORCE_EVAL/DFT/XC/XC_POTENTIAL +reading sources... [ 44%] CP2K_INPUT/FORCE_EVAL/DFT/XC/XC_POTENTIAL/SAOP .. CP2K_INPUT/FORCE_EVAL/EXTERNAL_POTENTIAL +reading sources... [ 45%] CP2K_INPUT/FORCE_EVAL/MIXED .. CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/BOND +reading sources... [ 45%] CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/CHARGE .. CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED/TABPOT +reading sources... [ 46%] CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED/TERSOFF .. CP2K_INPUT/FORCE_EVAL/MM/POISSON/IMPLICIT/DIELECTRIC/DIELEC_XAA_ANNULAR +reading sources... [ 47%] CP2K_INPUT/FORCE_EVAL/MM/POISSON/IMPLICIT/DIRICHLET_BC .. CP2K_INPUT/FORCE_EVAL/MM/PRINT/FF_PARAMETER_FILE +reading sources... [ 48%] CP2K_INPUT/FORCE_EVAL/MM/PRINT/FF_PARAMETER_FILE/EACH .. CP2K_INPUT/FORCE_EVAL/NNP/PRINT/FORCES +reading sources... [ 49%] CP2K_INPUT/FORCE_EVAL/NNP/PRINT/FORCES/EACH .. CP2K_INPUT/FORCE_EVAL/PRINT/TOTAL_NUMBERS +reading sources... [ 50%] CP2K_INPUT/FORCE_EVAL/PRINT/TOTAL_NUMBERS/EACH .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/ET_COUPLING/PROJECTION/BLOCK/PRINT/MO_CUBES +reading sources... [ 51%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/ET_COUPLING/PROJECTION/BLOCK/PRINT/MO_CUBES/EACH .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/DCDR/PRINT/APT/EACH +reading sources... [ 52%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/HF/RI/PRINT/RI_INFO/EACH +reading sources... [ 53%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/HF/RI/PRINT/RI_METRIC_2C_INTS .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/VDW_POTENTIAL/NON_LOCAL +reading sources... [ 54%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/VDW_POTENTIAL/PAIR_POTENTIAL .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/RI_RPA/EXCHANGE_CORRECTION +reading sources... [ 55%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/RI_RPA/GW .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT +reading sources... [ 55%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_DENSITY_COEFFS .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/LOCALIZE/PRINT/MOLECULAR_MOMENTS/EACH +reading sources... [ 56%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/LOCALIZE/PRINT/MOLECULAR_STATES .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/NMR/PRINT/CHI_TENSOR/EACH +reading sources... [ 57%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/NMR/PRINT/RESPONSE_FUNCTION_CUBES .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/VCD/INTERPOLATOR +reading sources... [ 58%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/VCD/INTERPOLATOR/CONV_INFO .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/PRINT +reading sources... [ 59%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/PRINT/BASIS_SET_FILE .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC +reading sources... [ 60%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/ADIABATIC_RESCALING .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/HFX_KERNEL/HF/INTERACTION_POTENTIAL +reading sources... [ 61%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/HFX_KERNEL/HF/LOAD_BALANCE .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/INTEGRALS +reading sources... [ 62%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/INTEGRALS/ERI_MME .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/RI_RPA/GW/IC +reading sources... [ 63%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/RI_RPA/GW/KPOINT_SET .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/RI_SOS_MP2 +reading sources... [ 64%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/XC_FUNCTIONAL .. CP2K_INPUT/FORCE_EVAL/QMMM/FORCE_MIXING/BUFFER_LINKS/LINK/ADD_MM_CHARGE +reading sources... [ 65%] CP2K_INPUT/FORCE_EVAL/QMMM/FORCE_MIXING/BUFFER_LINKS/LINK/MOVE_MM_CHARGE .. CP2K_INPUT/FORCE_EVAL/QMMM/LINK +reading sources... [ 65%] CP2K_INPUT/FORCE_EVAL/QMMM/LINK/ADD_MM_CHARGE .. CP2K_INPUT/FORCE_EVAL/QMMM/PERIODIC/POISSON/IMPLICIT +reading sources... [ 66%] CP2K_INPUT/FORCE_EVAL/QMMM/PERIODIC/POISSON/IMPLICIT/DIELECTRIC .. CP2K_INPUT/FORCE_EVAL/QMMM/PRINT/GRID_INFORMATION/EACH +reading sources... [ 67%] CP2K_INPUT/FORCE_EVAL/QMMM/PRINT/IMAGE_CHARGE_INFO .. CP2K_INPUT/FORCE_EVAL/QMMM/QM_KIND +reading sources... [ 68%] CP2K_INPUT/FORCE_EVAL/QMMM/WALLS .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/ANGLE_PLANE_PLANE/POINT +reading sources... [ 69%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/BOND_ROTATION .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/QPARM +reading sources... [ 70%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/QPARM/POINT .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR/ACID_HYDRONIUM_DISTANCE +reading sources... [ 71%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR/ACID_HYDRONIUM_SHELL .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR/HYDRONIUM_SHELL +reading sources... [ 72%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR/POPULATION .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/MAP +reading sources... [ 73%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/MAP/EACH .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/ANGLE_PLANE_PLANE +reading sources... [ 74%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/ANGLE_PLANE_PLANE/PLANE .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/PRINT/PROGRAM_RUN_INFO +reading sources... [ 75%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/PRINT/PROGRAM_RUN_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/RMSD +reading sources... [ 75%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/RMSD/FRAME .. CP2K_INPUT/FORCE_EVAL/SUBSYS/KIND/PAO_POTENTIAL +reading sources... [ 76%] CP2K_INPUT/FORCE_EVAL/SUBSYS/KIND/POTENTIAL .. CP2K_INPUT/FORCE_EVAL/SUBSYS/SHELL_COORD +reading sources... [ 77%] CP2K_INPUT/FORCE_EVAL/SUBSYS/SHELL_VELOCITY .. CP2K_INPUT/FORCE_EVAL/SUBSYS/TOPOLOGY/MOL_SET/MERGE_MOLECULES/BONDS +reading sources... [ 78%] CP2K_INPUT/FORCE_EVAL/SUBSYS/TOPOLOGY/MOL_SET/MERGE_MOLECULES/IMPROPERS .. CP2K_INPUT/MOTION/BAND/BANNER/EACH +reading sources... [ 79%] CP2K_INPUT/MOTION/BAND/CI_NEB .. CP2K_INPUT/MOTION/CELL_OPT/BFGS/RESTART/EACH +reading sources... [ 80%] CP2K_INPUT/MOTION/CELL_OPT/CG .. CP2K_INPUT/MOTION/CONSTRAINT/HBONDS/RESTRAINT +reading sources... [ 81%] CP2K_INPUT/MOTION/CONSTRAINT/LAGRANGE_MULTIPLIERS .. CP2K_INPUT/MOTION/FREE_ENERGY/METADYN/METAVAR/WALL/REFLECTIVE +reading sources... [ 82%] CP2K_INPUT/MOTION/FREE_ENERGY/METADYN/MULTIPLE_WALKERS .. CP2K_INPUT/MOTION/GEO_OPT/CG/LINE_SEARCH/2PNT +reading sources... [ 83%] CP2K_INPUT/MOTION/GEO_OPT/CG/LINE_SEARCH/GOLD .. CP2K_INPUT/MOTION/MC/MAX_DISPLACEMENTS +reading sources... [ 84%] CP2K_INPUT/MOTION/MC/MAX_DISPLACEMENTS/BOX_DISPLACEMENTS .. CP2K_INPUT/MOTION/MD/AVERAGES/PRINT_AVERAGES/EACH +reading sources... [ 85%] CP2K_INPUT/MOTION/MD/AVERAGES/RESTART_AVERAGES .. CP2K_INPUT/MOTION/MD/BAROSTAT/THERMOSTAT/PRINT/ENERGY/EACH +reading sources... [ 85%] CP2K_INPUT/MOTION/MD/BAROSTAT/THERMOSTAT/PRINT/TEMPERATURE .. CP2K_INPUT/MOTION/MD/PRINT/TEMP_KIND/EACH +reading sources... [ 86%] CP2K_INPUT/MOTION/MD/PRINT/TEMP_SHELL_KIND .. CP2K_INPUT/MOTION/MD/SHELL/THERMOSTAT/GLE/S +reading sources... [ 87%] CP2K_INPUT/MOTION/MD/SHELL/THERMOSTAT/GLE/THERMOSTAT_ENERGY .. CP2K_INPUT/MOTION/MD/THERMOSTAT/CSVR +reading sources... [ 88%] CP2K_INPUT/MOTION/MD/THERMOSTAT/CSVR/RNG_INIT .. CP2K_INPUT/MOTION/PINT/GLE +reading sources... [ 89%] CP2K_INPUT/MOTION/PINT/GLE/RNG_INIT .. CP2K_INPUT/MOTION/PINT/HELIUM/PRINT/ACTION/EACH +reading sources... [ 90%] CP2K_INPUT/MOTION/PINT/HELIUM/PRINT/COORDINATES .. CP2K_INPUT/MOTION/PINT/HELIUM/PRINT/WINDING_NUMBER +reading sources... [ 91%] CP2K_INPUT/MOTION/PINT/HELIUM/PRINT/WINDING_NUMBER/EACH .. CP2K_INPUT/MOTION/PINT/PRINT/CENTROID_VEL +reading sources... [ 92%] CP2K_INPUT/MOTION/PINT/PRINT/CENTROID_VEL/EACH .. CP2K_INPUT/MOTION/PRINT/POLAR_MATRIX/EACH +reading sources... [ 93%] CP2K_INPUT/MOTION/PRINT/RESTART .. CP2K_INPUT/MOTION/SHELL_OPT/CG +reading sources... [ 94%] CP2K_INPUT/MOTION/SHELL_OPT/CG/LINE_SEARCH .. CP2K_INPUT/NEGF/MIXING +reading sources... [ 95%] CP2K_INPUT/NEGF/PRINT .. CP2K_INPUT/OPTIMIZE_INPUT/VARIABLE +reading sources... [ 95%] CP2K_INPUT/SWARM .. CP2K_INPUT/TEST/ERI_MME_TEST/ERI_MME/ERI_MME_INFO +reading sources... [ 96%] CP2K_INPUT/TEST/ERI_MME_TEST/ERI_MME/ERI_MME_INFO/EACH .. CP2K_INPUT/VIBRATIONAL_ANALYSIS/PRINT/MOLDEN_VIB/EACH +reading sources... [ 97%] CP2K_INPUT/VIBRATIONAL_ANALYSIS/PRINT/NAMD_PRINT .. methods/dft/local_ri +reading sources... [ 98%] methods/dft/pseudopotentials .. methods/properties/optical/tddft +reading sources... [ 99%] methods/properties/raman .. methods/semiempiricals/index +reading sources... [100%] methods/semiempiricals/xtb .. versions looking for now-outdated files... none found pickling environment... done @@ -67470,120 +67510,124 @@ copying downloadable files... [100%] methods/dft/lrigpw_example.inp copying static files... -Writing evaluated template result to /build/reproducible-path/cp2k-2025.1/docs/_build/html/_static/language_data.js -Writing evaluated template result to /build/reproducible-path/cp2k-2025.1/docs/_build/html/_static/basic.css Writing evaluated template result to /build/reproducible-path/cp2k-2025.1/docs/_build/html/_static/documentation_options.js +Writing evaluated template result to /build/reproducible-path/cp2k-2025.1/docs/_build/html/_static/basic.css +Writing evaluated template result to /build/reproducible-path/cp2k-2025.1/docs/_build/html/_static/language_data.js Writing evaluated template result to /build/reproducible-path/cp2k-2025.1/docs/_build/html/_static/js/versions.js copying static files: done copying extra files... copying extra files: done copying assets: done -writing output... [ 1%] CP2K_INPUT/ATOM .. CP2K_INPUT/ATOM/METHOD/XC/HF/SCREENING -writing output... [ 2%] CP2K_INPUT/ATOM/METHOD/XC/HFX_KERNEL .. CP2K_INPUT/ATOM/METHOD/XC/VDW_POTENTIAL/PAIR_POTENTIAL/PRINT_DFTD/EACH -writing output... [ 3%] CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION .. CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/GW/BSE/NTO_ANALYSIS -writing output... [ 4%] CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/GW/BSE/NTO_ANALYSIS/EACH .. CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_METRIC_2C_INTS/EACH -writing output... [ 5%] CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/HF/SCREENING .. CP2K_INPUT/ATOM/PRINT/FIT_BASIS -writing output... [ 6%] CP2K_INPUT/ATOM/PRINT/FIT_BASIS/EACH .. CP2K_INPUT/DEBUG -writing output... [ 7%] CP2K_INPUT/DEBUG/PROGRAM_RUN_INFO .. CP2K_INPUT/FORCE_EVAL/DFT/ACTIVE_SPACE/LOCALIZE -writing output... [ 8%] CP2K_INPUT/FORCE_EVAL/DFT/ACTIVE_SPACE/LOCALIZE/PRINT .. CP2K_INPUT/FORCE_EVAL/DFT/ACTIVE_SPACE/PRINT_ORBITAL_CUBES -writing output... [ 8%] CP2K_INPUT/FORCE_EVAL/DFT/ACTIVE_SPACE/SOCKET .. CP2K_INPUT/FORCE_EVAL/DFT/EFIELD/RAMP_ENV -writing output... [ 9%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/HF/RI/PRINT/RI_INFO -writing output... [ 10%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/HF/RI/PRINT/RI_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/VDW_POTENTIAL/NON_LOCAL -writing output... [ 11%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/VDW_POTENTIAL/PAIR_POTENTIAL .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/RI_RPA/GW -writing output... [ 12%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/RI_RPA/GW/BSE .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_DENSITY_COEFFS/EACH -writing output... [ 13%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_INFO .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/HF -writing output... [ 14%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/HF/HF_INFO .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/HFX_KERNEL/HF/MEMORY -writing output... [ 15%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/HFX_KERNEL/HF/PERIODIC .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/INTEGRALS/INTERACTION_POTENTIAL -writing output... [ 16%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/INTEGRALS/WFC_GPW .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/RI_RPA/GW/PRINT/LOCAL_BANDGAP/EACH -writing output... [ 17%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/RI_RPA/HF .. CP2K_INPUT/FORCE_EVAL/DFT/LOCALIZE -writing output... [ 18%] CP2K_INPUT/FORCE_EVAL/DFT/LOCALIZE/PRINT .. CP2K_INPUT/FORCE_EVAL/DFT/LOW_SPIN_ROKS -writing output... [ 19%] CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF .. CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF/PAO/PRINT/OPT_INFO -writing output... [ 20%] CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF/PAO/PRINT/OPT_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/POISSON/IMPLICIT/DIRICHLET_BC/AA_CUBOIDAL -writing output... [ 21%] CP2K_INPUT/FORCE_EVAL/DFT/POISSON/IMPLICIT/DIRICHLET_BC/AA_CYLINDRICAL .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/CHARGEMOL/EACH -writing output... [ 22%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/DERIVATIVES .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/E_DENSITY_CUBE -writing output... [ 23%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/E_DENSITY_CUBE/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/IAO_ANALYSIS/ONE_CENTER_EXPANSION/EACH -writing output... [ 24%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/IMPLICIT_PSOLVER .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/MINBAS_ANALYSIS/MINBAS_MOLDEN -writing output... [ 25%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/MINBAS_ANALYSIS/MINBAS_MOLDEN/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/SCCS -writing output... [ 25%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/SCCS/DENSITY_GRADIENT .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/V_XC_CUBE/EACH -writing output... [ 26%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/WANNIER90 .. CP2K_INPUT/FORCE_EVAL/DFT/QS/OPTIMIZE_LRI_BASIS -writing output... [ 27%] CP2K_INPUT/FORCE_EVAL/DFT/QS/OPTIMIZE_LRI_BASIS/CONSTRAIN_EXPONENTS .. CP2K_INPUT/FORCE_EVAL/DFT/QS/SE/PRINT/SUBCELL/EACH -writing output... [ 28%] CP2K_INPUT/FORCE_EVAL/DFT/QS/SE/SCREENING .. CP2K_INPUT/FORCE_EVAL/DFT/REAL_TIME_PROPAGATION/PRINT/PROJECTION_MO/PRINT -writing output... [ 29%] CP2K_INPUT/FORCE_EVAL/DFT/REAL_TIME_PROPAGATION/PRINT/PROJECTION_MO/PRINT/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/SCF/PRINT/DETAILED_ENERGY -writing output... [ 30%] CP2K_INPUT/FORCE_EVAL/DFT/SCF/PRINT/DETAILED_ENERGY/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/SCRF/PROGRAM_RUN_INFO -writing output... [ 31%] CP2K_INPUT/FORCE_EVAL/DFT/SCRF/PROGRAM_RUN_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/HF/RI/PRINT/RI_INFO/EACH -writing output... [ 32%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/HF/RI/PRINT/RI_METRIC_2C_INTS .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/VDW_POTENTIAL/PAIR_POTENTIAL -writing output... [ 33%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/VDW_POTENTIAL/PAIR_POTENTIAL/EEQ .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/RI_RPA/GW/BSE -writing output... [ 34%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/RI_RPA/GW/BSE/BSE_ITERAT .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_INFO -writing output... [ 35%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/XAS/LOCALIZE/PRINT/MOLECULAR_MOMENTS/EACH -writing output... [ 36%] CP2K_INPUT/FORCE_EVAL/DFT/XAS/LOCALIZE/PRINT/MOLECULAR_STATES .. CP2K_INPUT/FORCE_EVAL/DFT/XAS/PRINT/LOC_RESTART -writing output... [ 37%] CP2K_INPUT/FORCE_EVAL/DFT/XAS/PRINT/LOC_RESTART/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/XAS/SCF/DIAGONALIZATION/KRYLOV -writing output... [ 38%] CP2K_INPUT/FORCE_EVAL/DFT/XAS/SCF/DIAGONALIZATION/OT .. CP2K_INPUT/FORCE_EVAL/DFT/XAS/SCF/PRINT/PROGRAM_RUN_INFO -writing output... [ 39%] CP2K_INPUT/FORCE_EVAL/DFT/XAS/SCF/PRINT/PROGRAM_RUN_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/XAS_TDP/PRINT/RESTART_WFN -writing output... [ 40%] CP2K_INPUT/FORCE_EVAL/DFT/XAS_TDP/PRINT/RESTART_WFN/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/XC/HFX_KERNEL/HF -writing output... [ 41%] CP2K_INPUT/FORCE_EVAL/DFT/XC/HFX_KERNEL/HF/HF_INFO .. CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/CANONICAL_GRADIENTS -writing output... [ 42%] CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/CANONICAL_GRADIENTS/CPHF .. CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/RI_RPA/GW/BSE/SCREENING_IN_W -writing output... [ 42%] CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/RI_RPA/GW/IC .. CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/RI_SOS_MP2 -writing output... [ 43%] CP2K_INPUT/FORCE_EVAL/DFT/XC/XC_FUNCTIONAL .. CP2K_INPUT/FORCE_EVAL/EMBED/PRINT -writing output... [ 44%] CP2K_INPUT/FORCE_EVAL/EMBED/PRINT/PROGRAM_RUN_INFO .. CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/BEND -writing output... [ 45%] CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/BEND/UB .. CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED/SIEPMANN -writing output... [ 46%] CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED/TABPOT .. CP2K_INPUT/FORCE_EVAL/MM/POISSON/IMPLICIT/DIELECTRIC/DIELEC_XAA_ANNULAR -writing output... [ 47%] CP2K_INPUT/FORCE_EVAL/MM/POISSON/IMPLICIT/DIRICHLET_BC .. CP2K_INPUT/FORCE_EVAL/MM/PRINT/FF_PARAMETER_FILE/EACH -writing output... [ 48%] CP2K_INPUT/FORCE_EVAL/MM/PRINT/ITER_INFO .. CP2K_INPUT/FORCE_EVAL/NNP/PRINT/FORCES_SIGMA -writing output... [ 49%] CP2K_INPUT/FORCE_EVAL/NNP/PRINT/FORCES_SIGMA/EACH .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/ATOMIC -writing output... [ 50%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/BANDSTRUCTURE .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/ET_COUPLING/PROJECTION/PRINT/COUPLINGS/EACH -writing output... [ 51%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/ET_COUPLING/PROJECTION/PROGRAM_RUN_INFO .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT -writing output... [ 52%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/HFX_KERNEL/HF/HF_INFO -writing output... [ 53%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/HFX_KERNEL/HF/HF_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/CANONICAL_GRADIENTS/CPHF -writing output... [ 54%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/INTEGRALS .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/RI_RPA/GW/IC -writing output... [ 55%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/RI_RPA/GW/KPOINT_SET .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/XC_FUNCTIONAL -writing output... [ 56%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/XC_GRID .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/LOCALIZE/PRINT/WANNIER_CENTERS/EACH -writing output... [ 57%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/LOCALIZE/PRINT/WANNIER_CUBES .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/POLAR/PRINT/POLAR_MATRIX/EACH -writing output... [ 58%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/PRINT .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/RESP/PRINT/PROGRAM_RUN_INFO/EACH -writing output... [ 58%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/RESP/PRINT/RESP_CHARGES_TO_FILE .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/PRINT/NAMD_PRINT -writing output... [ 59%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/PRINT/NAMD_PRINT/EACH .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/HF/RI/PRINT/RI_DENSITY_COEFFS -writing output... [ 60%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/HF/RI/PRINT/RI_DENSITY_COEFFS/EACH .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/HFX_KERNEL/HFXLR -writing output... [ 61%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/VDW_POTENTIAL .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/RI_RPA -writing output... [ 62%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/RI_RPA/EXCHANGE_CORRECTION .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT -writing output... [ 63%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_DENSITY_COEFFS .. CP2K_INPUT/FORCE_EVAL/QMMM/FORCEFIELD/NONBONDED14/GENPOT -writing output... [ 64%] CP2K_INPUT/FORCE_EVAL/QMMM/FORCEFIELD/NONBONDED14/GOODWIN .. CP2K_INPUT/FORCE_EVAL/QMMM/IMAGE_CHARGE/ERI_MME/ERI_MME_INFO/EACH -writing output... [ 65%] CP2K_INPUT/FORCE_EVAL/QMMM/INTERPOLATOR .. CP2K_INPUT/FORCE_EVAL/QMMM/PERIODIC/POISSON/EWALD/MULTIPOLES -writing output... [ 66%] CP2K_INPUT/FORCE_EVAL/QMMM/PERIODIC/POISSON/EWALD/PRINT .. CP2K_INPUT/FORCE_EVAL/QMMM/PRINT/DERIVATIVES/EACH -writing output... [ 67%] CP2K_INPUT/FORCE_EVAL/QMMM/PRINT/DIPOLE .. CP2K_INPUT/FORCE_EVAL/QMMM/PRINT/QMMM_MATRIX/EACH -writing output... [ 68%] CP2K_INPUT/FORCE_EVAL/QMMM/PRINT/QS_DERIVATIVES .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/ANGLE_PLANE_PLANE -writing output... [ 69%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/ANGLE_PLANE_PLANE/PLANE .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/PRINT/PROGRAM_RUN_INFO/EACH -writing output... [ 70%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/QPARM .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR/ACID_HYDRONIUM_DISTANCE -writing output... [ 71%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR/ACID_HYDRONIUM_SHELL .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR/POPULATION -writing output... [ 72%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR/POPULATION/POINT .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FUNCTION -writing output... [ 73%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FUNCTION/POINT .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/BOND_ROTATION -writing output... [ 74%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/BOND_ROTATION/POINT .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/RING_PUCKERING -writing output... [ 75%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/RING_PUCKERING/POINT .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/U -writing output... [ 75%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/U/MIXED .. CP2K_INPUT/FORCE_EVAL/SUBSYS/PRINT/ATOMIC_COORDINATES -writing output... [ 76%] CP2K_INPUT/FORCE_EVAL/SUBSYS/PRINT/ATOMIC_COORDINATES/EACH .. CP2K_INPUT/FORCE_EVAL/SUBSYS/TOPOLOGY/DUMP_PSF/EACH -writing output... [ 77%] CP2K_INPUT/FORCE_EVAL/SUBSYS/TOPOLOGY/EXCLUDE_EI_LIST .. CP2K_INPUT/GLOBAL/DBCSR/TENSOR -writing output... [ 78%] CP2K_INPUT/GLOBAL/FM .. CP2K_INPUT/MOTION/BAND/OPTIMIZE_BAND/DIIS/DIIS_INFO -writing output... [ 79%] CP2K_INPUT/MOTION/BAND/OPTIMIZE_BAND/DIIS/DIIS_INFO/EACH .. CP2K_INPUT/MOTION/CELL_OPT/PRINT/PROGRAM_RUN_INFO/EACH -writing output... [ 80%] CP2K_INPUT/MOTION/CONSTRAINT .. CP2K_INPUT/MOTION/FREE_ENERGY -writing output... [ 81%] CP2K_INPUT/MOTION/FREE_ENERGY/ALCHEMICAL_CHANGE .. CP2K_INPUT/MOTION/FREE_ENERGY/METADYN/SPAWNED_HILLS_HEIGHT -writing output... [ 82%] CP2K_INPUT/MOTION/FREE_ENERGY/METADYN/SPAWNED_HILLS_INVDT .. CP2K_INPUT/MOTION/GEO_OPT/TRANSITION_STATE/DIMER/ROT_OPT/CG -writing output... [ 83%] CP2K_INPUT/MOTION/GEO_OPT/TRANSITION_STATE/DIMER/ROT_OPT/CG/LINE_SEARCH .. CP2K_INPUT/MOTION/MD/ADIABATIC_DYNAMICS/THERMOSTAT_FAST/NOSE/MASS -writing output... [ 84%] CP2K_INPUT/MOTION/MD/ADIABATIC_DYNAMICS/THERMOSTAT_FAST/NOSE/VELOCITY .. CP2K_INPUT/MOTION/MD/BAROSTAT/THERMOSTAT/GLE/RNG_INIT -writing output... [ 85%] CP2K_INPUT/MOTION/MD/BAROSTAT/THERMOSTAT/GLE/S .. CP2K_INPUT/MOTION/MD/PRINT/ENERGY -writing output... [ 86%] CP2K_INPUT/MOTION/MD/PRINT/ENERGY/EACH .. CP2K_INPUT/MOTION/MD/SHELL/THERMOSTAT/AD_LANGEVIN/CHI -writing output... [ 87%] CP2K_INPUT/MOTION/MD/SHELL/THERMOSTAT/AD_LANGEVIN/MASS .. CP2K_INPUT/MOTION/MD/THERMAL_REGION/PRINT/LANGEVIN_REGIONS/EACH -writing output... [ 88%] CP2K_INPUT/MOTION/MD/THERMAL_REGION/PRINT/TEMPERATURE .. CP2K_INPUT/MOTION/MD/THERMOSTAT/PRINT/THERMOSTAT_INFO/EACH -writing output... [ 89%] CP2K_INPUT/MOTION/MD/VELOCITY_SOFTENING .. CP2K_INPUT/MOTION/PINT/HELIUM/PERM -writing output... [ 90%] CP2K_INPUT/MOTION/PINT/HELIUM/PRINT .. CP2K_INPUT/MOTION/PINT/HELIUM/PRINT/RDF -writing output... [ 91%] CP2K_INPUT/MOTION/PINT/HELIUM/PRINT/RDF/EACH .. CP2K_INPUT/MOTION/PINT/PRINT/CENTROID_GYR/EACH -writing output... [ 92%] CP2K_INPUT/MOTION/PINT/PRINT/CENTROID_POS .. CP2K_INPUT/MOTION/PRINT/MIXED_ENERGIES/EACH -writing output... [ 92%] CP2K_INPUT/MOTION/PRINT/POLAR_MATRIX .. CP2K_INPUT/MOTION/SHELL_OPT/BFGS/RESTART/EACH -writing output... [ 93%] CP2K_INPUT/MOTION/SHELL_OPT/CG .. CP2K_INPUT/NEGF/MIXING -writing output... [ 94%] CP2K_INPUT/NEGF/PRINT .. CP2K_INPUT/SWARM -writing output... [ 95%] CP2K_INPUT/SWARM/GLOBAL_OPT .. CP2K_INPUT/TEST/GRID_INFORMATION -writing output... [ 96%] CP2K_INPUT/TEST/GRID_INFORMATION/EACH .. CP2K_INPUT/VIBRATIONAL_ANALYSIS/PRINT/PROGRAM_RUN_INFO -writing output... [ 97%] CP2K_INPUT/VIBRATIONAL_ANALYSIS/PRINT/PROGRAM_RUN_INFO/EACH .. methods/embedding/qm_qm -writing output... [ 98%] methods/machine_learning/deepmd .. methods/properties/x-ray/delta-kick -writing output... [ 99%] methods/properties/x-ray/delta-scf .. units -writing output... [100%] versions +writing output... [ 1%] CP2K_INPUT/ATOM .. CP2K_INPUT/ATOM/METHOD/XC/HF/RI/PRINT/RI_METRIC_2C_INTS/EACH +writing output... [ 2%] CP2K_INPUT/ATOM/METHOD/XC/HF/SCREENING .. CP2K_INPUT/ATOM/METHOD/XC/VDW_POTENTIAL/PAIR_POTENTIAL/EEQ +writing output... [ 3%] CP2K_INPUT/ATOM/METHOD/XC/VDW_POTENTIAL/PAIR_POTENTIAL/PRINT_DFTD .. CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/GW/BSE +writing output... [ 4%] CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/GW/BSE/BSE_ITERAT .. CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_DENSITY_COEFFS/EACH +writing output... [ 5%] CP2K_INPUT/ATOM/METHOD/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_INFO .. CP2K_INPUT/ATOM/PRINT/ADMM/EACH +writing output... [ 5%] CP2K_INPUT/ATOM/PRINT/ANALYZE_BASIS .. CP2K_INPUT/ATOM/PRINT/SCF_INFO +writing output... [ 6%] CP2K_INPUT/ATOM/PRINT/SCF_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/BSSE/PRINT/RESTART/EACH +writing output... [ 7%] CP2K_INPUT/FORCE_EVAL/DFT .. CP2K_INPUT/FORCE_EVAL/DFT/ACTIVE_SPACE/LOCALIZE/PRINT/WANNIER_CUBES +writing output... [ 8%] CP2K_INPUT/FORCE_EVAL/DFT/ACTIVE_SPACE/LOCALIZE/PRINT/WANNIER_CUBES/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/ALMO_SCF/XALMO_OPTIMIZER_TRUSTR +writing output... [ 9%] CP2K_INPUT/FORCE_EVAL/DFT/AUXILIARY_DENSITY_MATRIX_METHOD .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/HF/INTERACTION_POTENTIAL +writing output... [ 10%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/HF/LOAD_BALANCE .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/HFX_KERNEL/HF/RI +writing output... [ 11%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/HFX_KERNEL/HF/RI/PRINT .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/INTEGRALS/WFC_GPW +writing output... [ 12%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/LOW_SCALING .. CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/RI_RPA/GW/PRINT/LOCAL_BANDGAP/EACH +writing output... [ 13%] CP2K_INPUT/FORCE_EVAL/DFT/ENERGY_CORRECTION/XC/WF_CORRELATION/RI_RPA/HF .. CP2K_INPUT/FORCE_EVAL/DFT/EXCITED_STATES +writing output... [ 14%] CP2K_INPUT/FORCE_EVAL/DFT/EXTERNAL_DENSITY .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/HF/RI/PRINT/RI_DENSITY_COEFFS +writing output... [ 15%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/HF/RI/PRINT/RI_DENSITY_COEFFS/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/HFX_KERNEL/HF/SCREENING +writing output... [ 15%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/HFX_KERNEL/HFXLR .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/RI/RI_METRIC +writing output... [ 16%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/RI_MP2 .. CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/RI_RPA/HF/MEMORY +writing output... [ 17%] CP2K_INPUT/FORCE_EVAL/DFT/KG_METHOD/XC/WF_CORRELATION/RI_RPA/HF/PERIODIC .. CP2K_INPUT/FORCE_EVAL/DFT/LOCALIZE/PRINT/MOLECULAR_MOMENTS/EACH +writing output... [ 18%] CP2K_INPUT/FORCE_EVAL/DFT/LOCALIZE/PRINT/MOLECULAR_STATES .. CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF/CHEBYSHEV/PRINT_SPECIFIC_E_DENSITY_CUBE/EACH +writing output... [ 19%] CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF/CURVY_STEPS .. CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF/PAO/PRINT/RUN_INFO/EACH +writing output... [ 20%] CP2K_INPUT/FORCE_EVAL/DFT/LS_SCF/PEXSI .. CP2K_INPUT/FORCE_EVAL/DFT/POISSON/MT +writing output... [ 21%] CP2K_INPUT/FORCE_EVAL/DFT/POISSON/MULTIPOLE .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/DFT_CONTROL_PARAMETERS +writing output... [ 22%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/DFT_CONTROL_PARAMETERS/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/GAPW +writing output... [ 23%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/GAPW/PROJECTORS .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/IMPLICIT_PSOLVER +writing output... [ 24%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/IMPLICIT_PSOLVER/DIELECTRIC_CUBE .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/MINBAS_ANALYSIS/MINBAS_MOLDEN +writing output... [ 25%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/MINBAS_ANALYSIS/MINBAS_MOLDEN/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/PROGRAM_BANNER/EACH +writing output... [ 25%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/SCCS .. CP2K_INPUT/FORCE_EVAL/DFT/PRINT/V_HARTREE_CUBE/EACH +writing output... [ 26%] CP2K_INPUT/FORCE_EVAL/DFT/PRINT/V_XC_CUBE .. CP2K_INPUT/FORCE_EVAL/DFT/QS/DISTRIBUTION +writing output... [ 27%] CP2K_INPUT/FORCE_EVAL/DFT/QS/LRIGPW .. CP2K_INPUT/FORCE_EVAL/DFT/QS/SE/PRINT/EWALD_INFO/EACH +writing output... [ 28%] CP2K_INPUT/FORCE_EVAL/DFT/QS/SE/PRINT/NEIGHBOR_LISTS .. CP2K_INPUT/FORCE_EVAL/DFT/REAL_TIME_PROPAGATION/PRINT/POLARIZABILITY +writing output... [ 29%] CP2K_INPUT/FORCE_EVAL/DFT/REAL_TIME_PROPAGATION/PRINT/POLARIZABILITY/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/SCF/OT +writing output... [ 30%] CP2K_INPUT/FORCE_EVAL/DFT/SCF/OUTER_SCF .. CP2K_INPUT/FORCE_EVAL/DFT/SCF/PRINT/RESTART/EACH +writing output... [ 31%] CP2K_INPUT/FORCE_EVAL/DFT/SCF/PRINT/RESTART_HISTORY .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/HF/LOAD_BALANCE/PRINT/EACH +writing output... [ 32%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/HF/MEMORY .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/HFX_KERNEL/HF/RI/PRINT/RI_DENSITY_COEFFS/EACH +writing output... [ 33%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/HFX_KERNEL/HF/RI/PRINT/RI_INFO .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/MP2 +writing output... [ 34%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/PRINT .. CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/RI_RPA/HF/HF_INFO/EACH +writing output... [ 35%] CP2K_INPUT/FORCE_EVAL/DFT/TDDFPT/XC/WF_CORRELATION/RI_RPA/HF/INTERACTION_POTENTIAL .. CP2K_INPUT/FORCE_EVAL/DFT/TRANSPORT/PEXSI +writing output... [ 35%] CP2K_INPUT/FORCE_EVAL/DFT/TRANSPORT/PRINT .. CP2K_INPUT/FORCE_EVAL/DFT/XAS/LOCALIZE/PRINT/WANNIER_SPREADS +writing output... [ 36%] CP2K_INPUT/FORCE_EVAL/DFT/XAS/LOCALIZE/PRINT/WANNIER_SPREADS/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/XAS/PRINT/WANNIER_CUBES +writing output... [ 37%] CP2K_INPUT/FORCE_EVAL/DFT/XAS/PRINT/WANNIER_CUBES/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/XAS/SCF/PRINT/DETAILED_ENERGY/EACH +writing output... [ 38%] CP2K_INPUT/FORCE_EVAL/DFT/XAS/SCF/PRINT/DIAG_SUB_SCF .. CP2K_INPUT/FORCE_EVAL/DFT/XAS_TDP/DONOR_STATES +writing output... [ 39%] CP2K_INPUT/FORCE_EVAL/DFT/XAS_TDP/GW2X .. CP2K_INPUT/FORCE_EVAL/DFT/XC/HF/HF_INFO/EACH +writing output... [ 40%] CP2K_INPUT/FORCE_EVAL/DFT/XC/HF/INTERACTION_POTENTIAL .. CP2K_INPUT/FORCE_EVAL/DFT/XC/HFX_KERNEL/HF/PERIODIC +writing output... [ 41%] CP2K_INPUT/FORCE_EVAL/DFT/XC/HFX_KERNEL/HF/RI .. CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/INTEGRALS/INTERACTION_POTENTIAL +writing output... [ 42%] CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/INTEGRALS/WFC_GPW .. CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/RI_RPA/GW/PRINT/LOCAL_BANDGAP +writing output... [ 43%] CP2K_INPUT/FORCE_EVAL/DFT/XC/WF_CORRELATION/RI_RPA/GW/PRINT/LOCAL_BANDGAP/EACH .. CP2K_INPUT/FORCE_EVAL/DFT/XC/XC_POTENTIAL/SAOP +writing output... [ 44%] CP2K_INPUT/FORCE_EVAL/EIP .. CP2K_INPUT/FORCE_EVAL/MIXED +writing output... [ 45%] CP2K_INPUT/FORCE_EVAL/MIXED/COUPLING .. CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/CHARGE +writing output... [ 45%] CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/CHARGES .. CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED/TERSOFF +writing output... [ 46%] CP2K_INPUT/FORCE_EVAL/MM/FORCEFIELD/NONBONDED/WILLIAMS .. CP2K_INPUT/FORCE_EVAL/MM/POISSON/IMPLICIT/DIRICHLET_BC +writing output... [ 47%] CP2K_INPUT/FORCE_EVAL/MM/POISSON/IMPLICIT/DIRICHLET_BC/AA_CUBOIDAL .. CP2K_INPUT/FORCE_EVAL/MM/PRINT/FF_PARAMETER_FILE/EACH +writing output... [ 48%] CP2K_INPUT/FORCE_EVAL/MM/PRINT/ITER_INFO .. CP2K_INPUT/FORCE_EVAL/NNP/PRINT/FORCES/EACH +writing output... [ 49%] CP2K_INPUT/FORCE_EVAL/NNP/PRINT/FORCES_SIGMA .. CP2K_INPUT/FORCE_EVAL/PRINT/TOTAL_NUMBERS/EACH +writing output... [ 50%] CP2K_INPUT/FORCE_EVAL/PROPERTIES .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/ET_COUPLING/PROJECTION/BLOCK/PRINT/MO_CUBES/EACH +writing output... [ 51%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/ET_COUPLING/PROJECTION/PRINT .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR +writing output... [ 52%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/INTERPOLATOR .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/HF/RI/PRINT/RI_METRIC_2C_INTS +writing output... [ 53%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/HF/RI/PRINT/RI_METRIC_2C_INTS/EACH .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/VDW_POTENTIAL/PAIR_POTENTIAL +writing output... [ 54%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/VDW_POTENTIAL/PAIR_POTENTIAL/EEQ .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/RI_RPA/GW +writing output... [ 55%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/RI_RPA/GW/BSE .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_DENSITY_COEFFS +writing output... [ 55%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/EPR/PRINT/G_TENSOR/XC/WF_CORRELATION/RI_RPA/HF/RI/PRINT/RI_DENSITY_COEFFS/EACH .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/LOCALIZE/PRINT/MOLECULAR_STATES +writing output... [ 56%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/LOCALIZE/PRINT/MOLECULAR_STATES/CUBES .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/NMR/PRINT/RESPONSE_FUNCTION_CUBES +writing output... [ 57%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/NMR/PRINT/RESPONSE_FUNCTION_CUBES/EACH .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/VCD/INTERPOLATOR/CONV_INFO +writing output... [ 58%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/LINRES/VCD/INTERPOLATOR/CONV_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/PRINT/BASIS_SET_FILE +writing output... [ 59%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/PRINT/BASIS_SET_FILE/EACH .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/ADIABATIC_RESCALING +writing output... [ 60%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/GCP_POTENTIAL .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/HFX_KERNEL/HF/LOAD_BALANCE +writing output... [ 61%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/HFX_KERNEL/HF/LOAD_BALANCE/PRINT .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/INTEGRALS/ERI_MME +writing output... [ 62%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/INTEGRALS/ERI_MME/CUTOFF_CALIB .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/RI_RPA/GW/KPOINT_SET +writing output... [ 63%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/WF_CORRELATION/RI_RPA/GW/PERIODIC_CORRECTION .. CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/XC_FUNCTIONAL +writing output... [ 64%] CP2K_INPUT/FORCE_EVAL/PROPERTIES/TDDFPT/XC/XC_GRID .. CP2K_INPUT/FORCE_EVAL/QMMM/FORCE_MIXING/BUFFER_LINKS/LINK/MOVE_MM_CHARGE +writing output... [ 65%] CP2K_INPUT/FORCE_EVAL/QMMM/FORCE_MIXING/BUFFER_NON_ADAPTIVE .. CP2K_INPUT/FORCE_EVAL/QMMM/LINK/ADD_MM_CHARGE +writing output... [ 65%] CP2K_INPUT/FORCE_EVAL/QMMM/LINK/MOVE_MM_CHARGE .. CP2K_INPUT/FORCE_EVAL/QMMM/PERIODIC/POISSON/IMPLICIT/DIELECTRIC +writing output... [ 66%] CP2K_INPUT/FORCE_EVAL/QMMM/PERIODIC/POISSON/IMPLICIT/DIELECTRIC/DIELEC_AA_CUBOIDAL .. CP2K_INPUT/FORCE_EVAL/QMMM/PRINT/IMAGE_CHARGE_INFO +writing output... [ 67%] CP2K_INPUT/FORCE_EVAL/QMMM/PRINT/IMAGE_CHARGE_INFO/EACH .. CP2K_INPUT/FORCE_EVAL/QMMM/WALLS +writing output... [ 68%] CP2K_INPUT/FORCE_EVAL/RESCALE_FORCES .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/BOND_ROTATION +writing output... [ 69%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/BOND_ROTATION/POINT .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/QPARM/POINT +writing output... [ 70%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/COMBINE_COLVAR/COLVAR/RING_PUCKERING .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR/ACID_HYDRONIUM_SHELL +writing output... [ 71%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR/ANGLE .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR/POPULATION +writing output... [ 72%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/COLVAR/POPULATION/POINT .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FROM_PATH/MAP/EACH +writing output... [ 73%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/DISTANCE_FUNCTION .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/ANGLE_PLANE_PLANE/PLANE +writing output... [ 74%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/ANGLE_PLANE_PLANE/POINT .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/PRINT/PROGRAM_RUN_INFO/EACH +writing output... [ 75%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/REACTION_PATH/COLVAR/QPARM .. CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/RMSD/FRAME +writing output... [ 75%] CP2K_INPUT/FORCE_EVAL/SUBSYS/COLVAR/RMSD/FRAME/COORD .. CP2K_INPUT/FORCE_EVAL/SUBSYS/KIND/POTENTIAL +writing output... [ 76%] CP2K_INPUT/FORCE_EVAL/SUBSYS/MULTIPOLES .. CP2K_INPUT/FORCE_EVAL/SUBSYS/SHELL_VELOCITY +writing output... [ 77%] CP2K_INPUT/FORCE_EVAL/SUBSYS/TOPOLOGY .. CP2K_INPUT/FORCE_EVAL/SUBSYS/TOPOLOGY/MOL_SET/MERGE_MOLECULES/IMPROPERS +writing output... [ 78%] CP2K_INPUT/FORCE_EVAL/SUBSYS/TOPOLOGY/MOL_SET/MERGE_MOLECULES/TORSIONS .. CP2K_INPUT/MOTION/BAND/CI_NEB +writing output... [ 79%] CP2K_INPUT/MOTION/BAND/CONVERGENCE_CONTROL .. CP2K_INPUT/MOTION/CELL_OPT/CG +writing output... [ 80%] CP2K_INPUT/MOTION/CELL_OPT/CG/LINE_SEARCH .. CP2K_INPUT/MOTION/CONSTRAINT/LAGRANGE_MULTIPLIERS +writing output... [ 81%] CP2K_INPUT/MOTION/CONSTRAINT/LAGRANGE_MULTIPLIERS/EACH .. CP2K_INPUT/MOTION/FREE_ENERGY/METADYN/MULTIPLE_WALKERS +writing output... [ 82%] CP2K_INPUT/MOTION/FREE_ENERGY/METADYN/MULTIPLE_WALKERS/WALKERS_FILE_NAME .. CP2K_INPUT/MOTION/GEO_OPT/CG/LINE_SEARCH/GOLD +writing output... [ 83%] CP2K_INPUT/MOTION/GEO_OPT/LBFGS .. CP2K_INPUT/MOTION/MC/MAX_DISPLACEMENTS/BOX_DISPLACEMENTS +writing output... [ 84%] CP2K_INPUT/MOTION/MC/MAX_DISPLACEMENTS/MOL_DISPLACEMENTS .. CP2K_INPUT/MOTION/MD/AVERAGES/RESTART_AVERAGES +writing output... [ 85%] CP2K_INPUT/MOTION/MD/BAROSTAT .. CP2K_INPUT/MOTION/MD/BAROSTAT/THERMOSTAT/PRINT/TEMPERATURE +writing output... [ 85%] CP2K_INPUT/MOTION/MD/BAROSTAT/THERMOSTAT/PRINT/TEMPERATURE/EACH .. CP2K_INPUT/MOTION/MD/PRINT/TEMP_SHELL_KIND +writing output... [ 86%] CP2K_INPUT/MOTION/MD/PRINT/TEMP_SHELL_KIND/EACH .. CP2K_INPUT/MOTION/MD/SHELL/THERMOSTAT/GLE/THERMOSTAT_ENERGY +writing output... [ 87%] CP2K_INPUT/MOTION/MD/SHELL/THERMOSTAT/NOSE .. CP2K_INPUT/MOTION/MD/THERMOSTAT/CSVR/RNG_INIT +writing output... [ 88%] CP2K_INPUT/MOTION/MD/THERMOSTAT/CSVR/THERMOSTAT_ENERGY .. CP2K_INPUT/MOTION/PINT/GLE/RNG_INIT +writing output... [ 89%] CP2K_INPUT/MOTION/PINT/GLE/S .. CP2K_INPUT/MOTION/PINT/HELIUM/PRINT/COORDINATES +writing output... [ 90%] CP2K_INPUT/MOTION/PINT/HELIUM/PRINT/COORDINATES/EACH .. CP2K_INPUT/MOTION/PINT/HELIUM/PRINT/WINDING_NUMBER/EACH +writing output... [ 91%] CP2K_INPUT/MOTION/PINT/HELIUM/PRINT/WINDING_NUMBER_2_AVG .. CP2K_INPUT/MOTION/PINT/PRINT/CENTROID_VEL/EACH +writing output... [ 92%] CP2K_INPUT/MOTION/PINT/PRINT/COM .. CP2K_INPUT/MOTION/PRINT/RESTART +writing output... [ 93%] CP2K_INPUT/MOTION/PRINT/RESTART/EACH .. CP2K_INPUT/MOTION/SHELL_OPT/CG/LINE_SEARCH +writing output... [ 94%] CP2K_INPUT/MOTION/SHELL_OPT/CG/LINE_SEARCH/2PNT .. CP2K_INPUT/NEGF/PRINT +writing output... [ 95%] CP2K_INPUT/NEGF/PRINT/DOS .. CP2K_INPUT/SWARM +writing output... [ 95%] CP2K_INPUT/SWARM/GLOBAL_OPT .. CP2K_INPUT/TEST/ERI_MME_TEST/ERI_MME/ERI_MME_INFO/EACH +writing output... [ 96%] CP2K_INPUT/TEST/GRID_INFORMATION .. CP2K_INPUT/VIBRATIONAL_ANALYSIS/PRINT/NAMD_PRINT +writing output... [ 97%] CP2K_INPUT/VIBRATIONAL_ANALYSIS/PRINT/NAMD_PRINT/EACH .. methods/dft/pseudopotentials +writing output... [ 98%] methods/embedding/index .. methods/properties/raman +writing output... [ 99%] methods/properties/resp_charges .. methods/semiempiricals/xtb +writing output... [100%] technologies/eigensolvers/cusolvermp .. versions generating indices... genindex done Creating redirect 'getting-started/CMake.html' to 'build-from-source.html'. @@ -67669,12 +67713,12 @@ -restrictdir SWARM/regtest-glbopt-1) ./do_regtest: line 619: ps: command not found *************************** testing started ****************************** - started on Thu Sep 11 00:14:29 -12 2025 + started on Thu Oct 15 07:44:20 +14 2026 configuration: Linux-x86_64-gfortran-psmp - regtesting location summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/summary.txt - regtesting location error_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/error_summary - regtesting location memory_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/memory_summary - regtesting location output dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29 + regtesting location summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/summary.txt + regtesting location error_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/error_summary + regtesting location memory_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/memory_summary + regtesting location output dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20 regtesting location last dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//LAST-Linux-x86_64-gfortran-psmp ---------------------------- Settings ------------------------------------ maxtasks = 2 @@ -67776,47 +67820,47 @@ ------------------------ regtesting cp2k --------------------------------- ------------------------- dynamic libraries linked ----------------------- ldd /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..///exe/Linux-x86_64-gfortran/cp2k.psmp : - linux-vdso.so.1 (0x00007f0c0bd47000) - liblapack.so.3 => /lib/x86_64-linux-gnu/liblapack.so.3 (0x00007f0c06e00000) - libblas.so.3 => /lib/x86_64-linux-gnu/libblas.so.3 (0x00007f0c0bca6000) - libfftw3.so.3 => /lib/x86_64-linux-gnu/libfftw3.so.3 (0x00007f0c06a00000) - libfftw3_threads.so.3 => /lib/x86_64-linux-gnu/libfftw3_threads.so.3 (0x00007f0c0bc9d000) - libint2.so.2 => /lib/x86_64-linux-gnu/libint2.so.2 (0x00007f0c04800000) - libxc.so.9 => /lib/x86_64-linux-gnu/libxc.so.9 (0x00007f0c03c00000) - libxcf03.so.9 => /lib/x86_64-linux-gnu/libxcf03.so.9 (0x00007f0c0bc92000) - libsymspg.so.2 => /lib/x86_64-linux-gnu/libsymspg.so.2 (0x00007f0c06c40000) - libmpi_mpifh.so.40 => /lib/x86_64-linux-gnu/libmpi_mpifh.so.40 (0x00007f0c0bc25000) - libscalapack-openmpi.so.2.2 => /lib/x86_64-linux-gnu/libscalapack-openmpi.so.2.2 (0x00007f0c03600000) - libelpa.so.19 => /lib/x86_64-linux-gnu/libelpa.so.19 (0x00007f0c076a1000) - libgfortran.so.5 => /lib/x86_64-linux-gnu/libgfortran.so.5 (0x00007f0c03200000) - libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007f0c03110000) - libmvec.so.1 => /lib/x86_64-linux-gnu/libmvec.so.1 (0x00007f0c03017000) - libgomp.so.1 => /lib/x86_64-linux-gnu/libgomp.so.1 (0x00007f0c0bbc2000) - libgcc_s.so.1 => /lib/x86_64-linux-gnu/libgcc_s.so.1 (0x00007f0c0bb91000) - libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007f0c02e21000) - libstdc++.so.6 => /lib/x86_64-linux-gnu/libstdc++.so.6 (0x00007f0c02a00000) - /lib64/ld-linux-x86-64.so.2 (0x00007f0c0bd49000) - libmpi.so.40 => /lib/x86_64-linux-gnu/libmpi.so.40 (0x00007f0c02600000) - libopen-pal.so.80 => /lib/x86_64-linux-gnu/libopen-pal.so.80 (0x00007f0c02ce4000) - libpsm2.so.2 => /lib/x86_64-linux-gnu/libpsm2.so.2 (0x00007f0c04797000) - libfabric.so.1 => /lib/x86_64-linux-gnu/libfabric.so.1 (0x00007f0c02439000) - libucp.so.0 => /lib/x86_64-linux-gnu/libucp.so.0 (0x00007f0c022a0000) - libucs.so.0 => /lib/x86_64-linux-gnu/libucs.so.0 (0x00007f0c03591000) - libevent_core-2.1.so.7 => /lib/x86_64-linux-gnu/libevent_core-2.1.so.7 (0x00007f0c0766b000) - libevent_pthreads-2.1.so.7 => /lib/x86_64-linux-gnu/libevent_pthreads-2.1.so.7 (0x00007f0c0bb88000) - libhwloc.so.15 => /lib/x86_64-linux-gnu/libhwloc.so.15 (0x00007f0c02c7f000) - libpmix.so.2 => /lib/x86_64-linux-gnu/libpmix.so.2 (0x00007f0c02000000) - libucm.so.0 => /lib/x86_64-linux-gnu/libucm.so.0 (0x00007f0c0bb67000) - libuct.so.0 => /lib/x86_64-linux-gnu/libuct.so.0 (0x00007f0c02255000) - libnl-3.so.200 => /lib/x86_64-linux-gnu/libnl-3.so.200 (0x00007f0c069d6000) - libnuma.so.1 => /lib/x86_64-linux-gnu/libnuma.so.1 (0x00007f0c06c31000) - librdmacm.so.1 => /lib/x86_64-linux-gnu/librdmacm.so.1 (0x00007f0c03be1000) - libefa.so.1 => /lib/x86_64-linux-gnu/libefa.so.1 (0x00007f0c04789000) - libibverbs.so.1 => /lib/x86_64-linux-gnu/libibverbs.so.1 (0x00007f0c029df000) - libudev.so.1 => /lib/x86_64-linux-gnu/libudev.so.1 (0x00007f0c01fb9000) - libmunge.so.2 => /lib/x86_64-linux-gnu/libmunge.so.2 (0x00007f0c029d3000) - libnl-route-3.so.200 => /lib/x86_64-linux-gnu/libnl-route-3.so.200 (0x00007f0c01f09000) - libcap.so.2 => /lib/x86_64-linux-gnu/libcap.so.2 (0x00007f0c02249000) + linux-vdso.so.1 (0x00007f7a75da0000) + liblapack.so.3 => /lib/x86_64-linux-gnu/liblapack.so.3 (0x00007f7a71000000) + libblas.so.3 => /lib/x86_64-linux-gnu/libblas.so.3 (0x00007f7a7196a000) + libfftw3.so.3 => /lib/x86_64-linux-gnu/libfftw3.so.3 (0x00007f7a70c00000) + libfftw3_threads.so.3 => /lib/x86_64-linux-gnu/libfftw3_threads.so.3 (0x00007f7a75d8c000) + libint2.so.2 => /lib/x86_64-linux-gnu/libint2.so.2 (0x00007f7a6ea00000) + libxc.so.9 => /lib/x86_64-linux-gnu/libxc.so.9 (0x00007f7a6de00000) + libxcf03.so.9 => /lib/x86_64-linux-gnu/libxcf03.so.9 (0x00007f7a75d81000) + libsymspg.so.2 => /lib/x86_64-linux-gnu/libsymspg.so.2 (0x00007f7a70e40000) + libmpi_mpifh.so.40 => /lib/x86_64-linux-gnu/libmpi_mpifh.so.40 (0x00007f7a718fd000) + libscalapack-openmpi.so.2.2 => /lib/x86_64-linux-gnu/libscalapack-openmpi.so.2.2 (0x00007f7a6d800000) + libelpa.so.19 => /lib/x86_64-linux-gnu/libelpa.so.19 (0x00007f7a6d6a1000) + libgfortran.so.5 => /lib/x86_64-linux-gnu/libgfortran.so.5 (0x00007f7a6d200000) + libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007f7a6d5b1000) + libmvec.so.1 => /lib/x86_64-linux-gnu/libmvec.so.1 (0x00007f7a6d107000) + libgomp.so.1 => /lib/x86_64-linux-gnu/libgomp.so.1 (0x00007f7a7189c000) + libgcc_s.so.1 => /lib/x86_64-linux-gnu/libgcc_s.so.1 (0x00007f7a7186b000) + libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007f7a6cf11000) + libstdc++.so.6 => /lib/x86_64-linux-gnu/libstdc++.so.6 (0x00007f7a6cc00000) + /lib64/ld-linux-x86-64.so.2 (0x00007f7a75da2000) + libmpi.so.40 => /lib/x86_64-linux-gnu/libmpi.so.40 (0x00007f7a6c800000) + libopen-pal.so.80 => /lib/x86_64-linux-gnu/libopen-pal.so.80 (0x00007f7a6c6c3000) + libpsm2.so.2 => /lib/x86_64-linux-gnu/libpsm2.so.2 (0x00007f7a6e997000) + libfabric.so.1 => /lib/x86_64-linux-gnu/libfabric.so.1 (0x00007f7a6c4fc000) + libucp.so.0 => /lib/x86_64-linux-gnu/libucp.so.0 (0x00007f7a6c363000) + libucs.so.0 => /lib/x86_64-linux-gnu/libucs.so.0 (0x00007f7a6cea2000) + libevent_core-2.1.so.7 => /lib/x86_64-linux-gnu/libevent_core-2.1.so.7 (0x00007f7a6c32d000) + libevent_pthreads-2.1.so.7 => /lib/x86_64-linux-gnu/libevent_pthreads-2.1.so.7 (0x00007f7a75d76000) + libhwloc.so.15 => /lib/x86_64-linux-gnu/libhwloc.so.15 (0x00007f7a6c2c8000) + libpmix.so.2 => /lib/x86_64-linux-gnu/libpmix.so.2 (0x00007f7a6c000000) + libucm.so.0 => /lib/x86_64-linux-gnu/libucm.so.0 (0x00007f7a70be1000) + libuct.so.0 => /lib/x86_64-linux-gnu/libuct.so.0 (0x00007f7a6c27d000) + libnl-3.so.200 => /lib/x86_64-linux-gnu/libnl-3.so.200 (0x00007f7a6ce78000) + libnuma.so.1 => /lib/x86_64-linux-gnu/libnuma.so.1 (0x00007f7a75d65000) + librdmacm.so.1 => /lib/x86_64-linux-gnu/librdmacm.so.1 (0x00007f7a6dde1000) + libefa.so.1 => /lib/x86_64-linux-gnu/libefa.so.1 (0x00007f7a70e32000) + libibverbs.so.1 => /lib/x86_64-linux-gnu/libibverbs.so.1 (0x00007f7a6d590000) + libudev.so.1 => /lib/x86_64-linux-gnu/libudev.so.1 (0x00007f7a6c236000) + libmunge.so.2 => /lib/x86_64-linux-gnu/libmunge.so.2 (0x00007f7a70bd5000) + libnl-route-3.so.200 => /lib/x86_64-linux-gnu/libnl-route-3.so.200 (0x00007f7a6bf50000) + libcap.so.2 => /lib/x86_64-linux-gnu/libcap.so.2 (0x00007f7a6e98b000) -------------------------------------------------------------------------- Copying tests into working directory ... done! CP2K supports: cp2kflags: omp libint fftw3 libxc elpa parallel scalapack spglib @@ -67856,557 +67900,557 @@ Skipping Fist/regtest-quip : missing required feature : quip Skipping QS/regtest-eht-guess : missing required feature : libdftd4 Skipping QS/regtest-trexio : missing required feature : trexio -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-tddfpt-force-2 (1 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-tddfpt-force-2 - h2o_f11.inp -17.08499356148531 OK ( 9.54 sec) - h2o_f12.inp -17.23314438613116 OK ( 7.98 sec) - h2o_f13.inp -17.21133582269174 OK ( 12.40 sec) - h2o_f14.inp -17.07269324354314 OK ( 15.22 sec) - h2o_f15.inp -17.18915026270194 OK ( 4.28 sec) - h2o_f16.inp -17.18920549415152 OK ( 8.43 sec) - h2o_f17.inp -17.20475909009970 OK ( 10.23 sec) - h2o_f18.inp -16.70951393575114 OK ( 8.34 sec) - h2o_f19.inp -17.21016952557893 OK ( 13.44 sec) - h2o_f20.inp -17.18911876899797 OK ( 5.57 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-tddfpt-force-2 (1 of 47) done in 104.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/LIBTEST (2 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/LIBTEST - test_01.inp - OK ( 4.26 sec) - test_02.inp - OK ( 0.83 sec) - test_pw.inp - OK ( 0.09 sec) - test_pw_02.inp - OK ( 0.01 sec) - test_pw_03.inp - OK ( 0.00 sec) - test_pw_04.inp - OK ( 10.41 sec) - test_pw_05.inp - OK ( 0.04 sec) - test_cp_fm_gemm_01.inp - OK ( 1.08 sec) - test_cp_fm_gemm_02.inp - OK ( 0.65 sec) +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-tddfpt-force-2 (1 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-tddfpt-force-2 + h2o_f11.inp -17.08499356134057 OK ( 51.92 sec) + h2o_f12.inp -17.23314438612676 OK ( 34.03 sec) + h2o_f13.inp -17.21133582328373 OK ( 103.01 sec) + h2o_f14.inp -17.07269324356560 OK ( 83.21 sec) + h2o_f15.inp -17.18915026270192 OK ( 23.26 sec) + h2o_f16.inp -17.18920549417169 OK ( 9.44 sec) + h2o_f17.inp -17.20475909010080 OK ( 7.85 sec) + h2o_f18.inp -16.70951393575156 OK ( 37.22 sec) + h2o_f19.inp -17.21016952558447 OK ( 47.30 sec) + h2o_f20.inp -17.18911876899798 OK ( 31.45 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-tddfpt-force-2 (1 of 47) done in 441.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/LIBTEST (2 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/LIBTEST + test_01.inp - OK ( 5.44 sec) + test_02.inp - OK ( 2.08 sec) + test_pw.inp - OK ( 0.52 sec) + test_pw_02.inp - OK ( 0.07 sec) + test_pw_03.inp - OK ( 0.01 sec) + test_pw_04.inp - OK ( 12.09 sec) + test_pw_05.inp - OK ( 0.03 sec) + test_cp_fm_gemm_01.inp - OK ( 2.74 sec) + test_cp_fm_gemm_02.inp - OK ( 2.08 sec) eig.inp - OK ( 0.02 sec) - dbcsr_mm_blas.inp - OK ( 0.21 sec) - dbcsr_multistack.inp - OK ( 0.20 sec) - dbcsr_types.inp - OK ( 0.44 sec) - dbcsr_blocks_01.inp 20978908949.261906 OK ( 1.15 sec) - dbcsr_blocks_02.inp 21229174127.238159 OK ( 0.65 sec) - dbcsr_blocks_03.inp 21561533688.640675 OK ( 2.43 sec) - dbcsr_blocks_04.inp 21304439095.777740 OK ( 0.93 sec) - dbcsr_blocks_05.inp 21455488291.450737 OK ( 0.85 sec) - dbcsr_blocks_06.inp 165599.60719889530 OK ( 0.05 sec) - dbcsr_types_01.inp 215164151.09111804 OK ( 0.35 sec) - dbcsr_types_02.inp 215164151.09111804 OK ( 0.36 sec) - dbcsr_types_03.inp 215164151.09111804 OK ( 0.30 sec) - dbcsr_types_04.inp 215164151.09111804 OK ( 0.20 sec) - dbcsr_types_05.inp 215164151.09111804 OK ( 0.29 sec) - dbcsr_io_1.inp - OK ( 0.24 sec) - dbcsr_order_N.inp 1910924.8949438259 OK ( 5.17 sec) - dbm_blocks_01.inp 20978908949.261597 OK ( 2.81 sec) - dbm_blocks_02.inp 21229174127.238670 OK ( 0.84 sec) - dbm_blocks_03.inp 21561533688.640694 OK ( 0.79 sec) - dbm_blocks_04.inp 21304439095.777515 OK ( 0.82 sec) - dbm_blocks_05.inp 21455488291.450775 OK ( 1.10 sec) - dbm_blocks_06.inp 165599.60719889478 OK ( 0.04 sec) - dbm_order_N.inp 1910924.8949438124 OK ( 2.00 sec) - test_eri_mme_accuracy.inp - OK ( 1.45 sec) - test_eri_mme_accuracy_longrange.inp - OK ( 1.76 sec) - test_eri_mme_accuracy_yukawa.inp - OK ( 1.31 sec) - test_eri_mme_performance.inp - OK ( 2.08 sec) - test_minimax.inp - OK ( 0.98 sec) - test_shg_integrals_01.inp - OK ( 3.08 sec) - test_shg_integrals_02.inp - OK ( 1.09 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/LIBTEST (2 of 47) done in 103.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-libxc (3 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-libxc - H2O-hybrid-b3lyp_libxc_uks.inp -76.41035426581170 OK ( 6.31 sec) - H2O_pbe_libxc_tddfpt-s.inp -17.23116251470401 OK ( 4.83 sec) - H2O_lda_libxc_tddfpt-s.inp -17.13289833455456 OK ( 3.03 sec) - H2O_pbe_libxc_tddfpt-t_uks.inp -17.23116251474714 OK ( 6.92 sec) - H2O-hybrid-b3lyp_libxc.inp -76.41035426581170 OK ( 2.18 sec) - H2O-hybrid-wb97mv-libxc.inp -76.39611446074747 OK ( 7.13 sec) - H2O-hybrid-cam-lda0.inp -76.47215215214996 OK ( 2.19 sec) - H2O_lda_libxc_tddfpt-t_uks.inp -17.13289833455846 OK ( 4.86 sec) - H2O-tpssx_libxc.inp -33.88300963208589 OK ( 1.73 sec) - diamond_br89_libxc_uks.inp -11.06630465114341 OK ( 8.67 sec) - diamond_br89_libxc.inp -11.06581270880672 OK ( 6.36 sec) - H2O-tpss_lsd.inp -34.34060245665994 OK ( 4.52 sec) - H2O-hybrid-wb97x2lp-libxc.inp -16.89949370064003 OK ( 4.14 sec) - H2O-hybrid-wb97x2tqz-libxc.inp -16.91942374569852 OK ( 3.63 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-libxc (3 of 47) done in 78.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-hfx-periodic (4 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-hfx-periodic - H2O-trunc-2.inp -75.99943504501115 OK ( 1.45 sec) - H2O-trunc-auto.inp -75.99943504501110 OK ( 1.71 sec) - H2O-coul-0.inp -76.02314790926962 OK ( 1.64 sec) - H2O-trunc-auto-md.inp -0.752385976642E+02 OK ( 3.69 sec) - CH3-trunc-auto.inp -39.13005530688503 OK ( 2.12 sec) - CH3-trunc-1.inp -39.36116309682905 OK ( 2.39 sec) - CH3-trunc-auto-md.inp -0.387264301986E+02 OK ( 5.78 sec) - CH3-coul-0.inp -39.39910229689107 OK ( 2.41 sec) - h2o-respa.inp -76.02310918726111 OK ( 10.62 sec) - h2o-respa_restart.inp -76.02267217092373 OK ( 6.60 sec) - H2O-id-auto.inp -88.00800458675090 OK ( 1.18 sec) - graphene_periodic_XY.inp -77.25992466324716 OK ( 1.45 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-hfx-periodic (4 of 47) done in 48.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/ATOM/regtest-2 (5 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/ATOM/regtest-2 + dbcsr_mm_blas.inp - OK ( 0.12 sec) + dbcsr_multistack.inp - OK ( 0.36 sec) + dbcsr_types.inp - OK ( 0.72 sec) + dbcsr_blocks_01.inp 20978908949.261906 OK ( 0.92 sec) + dbcsr_blocks_02.inp 21229174127.238159 OK ( 1.53 sec) + dbcsr_blocks_03.inp 21561533688.640675 OK ( 0.67 sec) + dbcsr_blocks_04.inp 21304439095.777740 OK ( 1.02 sec) + dbcsr_blocks_05.inp 21455488291.450737 OK ( 0.99 sec) + dbcsr_blocks_06.inp 165599.60719889530 OK ( 0.07 sec) + dbcsr_types_01.inp 215164151.09111804 OK ( 2.04 sec) + dbcsr_types_02.inp 215164151.09111804 OK ( 0.43 sec) + dbcsr_types_03.inp 215164151.09111804 OK ( 1.00 sec) + dbcsr_types_04.inp 215164151.09111804 OK ( 0.37 sec) + dbcsr_types_05.inp 215164151.09111804 OK ( 0.17 sec) + dbcsr_io_1.inp - OK ( 0.36 sec) + dbcsr_order_N.inp 1910924.8949438259 OK ( 5.95 sec) + dbm_blocks_01.inp 20978908949.261597 OK ( 1.36 sec) + dbm_blocks_02.inp 21229174127.238670 OK ( 1.09 sec) + dbm_blocks_03.inp 21561533688.640694 OK ( 4.00 sec) + dbm_blocks_04.inp 21304439095.777515 OK ( 1.38 sec) + dbm_blocks_05.inp 21455488291.450775 OK ( 0.99 sec) + dbm_blocks_06.inp 165599.60719889478 OK ( 0.31 sec) + dbm_order_N.inp 1910924.8949438117 OK ( 2.77 sec) + test_eri_mme_accuracy.inp - OK ( 1.49 sec) + test_eri_mme_accuracy_longrange.inp - OK ( 1.61 sec) + test_eri_mme_accuracy_yukawa.inp - OK ( 4.19 sec) + test_eri_mme_performance.inp - OK ( 2.05 sec) + test_minimax.inp - OK ( 1.27 sec) + test_shg_integrals_01.inp - OK ( 2.33 sec) + test_shg_integrals_02.inp - OK ( 1.29 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/LIBTEST (2 of 47) done in 140.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-libxc (3 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-libxc + H2O-hybrid-b3lyp_libxc_uks.inp -76.41035426581172 OK ( 9.92 sec) + H2O_pbe_libxc_tddfpt-s.inp -17.23116251470401 OK ( 17.25 sec) + H2O_lda_libxc_tddfpt-s.inp -17.13289833455457 OK ( 8.87 sec) + H2O_pbe_libxc_tddfpt-t_uks.inp -17.23116251474714 OK ( 21.18 sec) + H2O-hybrid-b3lyp_libxc.inp -76.41035426581170 OK ( 8.67 sec) + H2O-hybrid-wb97mv-libxc.inp -76.39611446074743 OK ( 20.30 sec) + H2O-hybrid-cam-lda0.inp -76.47215215214993 OK ( 8.03 sec) + H2O_lda_libxc_tddfpt-t_uks.inp -17.13289833455846 OK ( 19.35 sec) + H2O-tpssx_libxc.inp -33.88300963208588 OK ( 2.34 sec) + diamond_br89_libxc_uks.inp -11.06630465114343 OK ( 12.79 sec) + diamond_br89_libxc.inp -11.06581270880674 OK ( 8.64 sec) + H2O-tpss_lsd.inp -34.34060245665994 OK ( 6.19 sec) + H2O-hybrid-wb97x2lp-libxc.inp -16.89949370064003 OK ( 3.37 sec) + H2O-hybrid-wb97x2tqz-libxc.inp -16.91942374569852 OK ( 4.91 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-libxc (3 of 47) done in 173.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-hfx-periodic (4 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-hfx-periodic + H2O-trunc-2.inp -75.99943504501113 OK ( 1.73 sec) + H2O-trunc-auto.inp -75.99943504501113 OK ( 2.35 sec) + H2O-coul-0.inp -76.02314790926960 OK ( 1.35 sec) + H2O-trunc-auto-md.inp -0.752385976642E+02 OK ( 3.98 sec) + CH3-trunc-auto.inp -39.13005530688502 OK ( 2.65 sec) + CH3-trunc-1.inp -39.36116309682903 OK ( 2.91 sec) + CH3-trunc-auto-md.inp -0.387264301986E+02 OK ( 5.51 sec) + CH3-coul-0.inp -39.39910229689107 OK ( 2.09 sec) + h2o-respa.inp -76.02310918726113 OK ( 11.27 sec) + h2o-respa_restart.inp -76.02267217092373 OK ( 7.27 sec) + H2O-id-auto.inp -88.00800458675094 OK ( 1.24 sec) + graphene_periodic_XY.inp -77.25992466324718 OK ( 1.42 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-hfx-periodic (4 of 47) done in 52.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/ATOM/regtest-2 (5 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/ATOM/regtest-2 H.inp -0.499999999830 OK ( 0.12 sec) He_1.inp -1.399307796698 OK ( 0.01 sec) - He_2.inp -1.336212351224 OK ( 0.01 sec) + He_2.inp -1.336212351224 OK ( 0.02 sec) He_3.inp -1.416270865184 OK ( 0.02 sec) - He_5.inp -1.408879880907 OK ( 0.01 sec) + He_5.inp -1.408879880907 OK ( 0.02 sec) F_1.inp -24.171954774816 OK ( 0.04 sec) F_2.inp -24.171954774816 OK ( 0.04 sec) F_3.inp -24.171954774816 OK ( 0.04 sec) F_4.inp -23.517790822115 OK ( 0.03 sec) F_5.inp -23.437623684262 OK ( 0.03 sec) - U.inp -25598.253318868796 OK ( 2.15 sec) - Ru.inp -15.9518066199 OK ( 1.17 sec) + U.inp -25598.253318868796 OK ( 2.44 sec) + Ru.inp -15.9518066199 OK ( 1.20 sec) Ru_basis.inp -15.951806619855 OK ( 0.03 sec) - Ru_conf.inp -15.9897774741 OK ( 2.24 sec) + Ru_conf.inp -15.9897774741 OK ( 2.23 sec) atom_1.inp -0.462506882641 OK ( 0.03 sec) atom_2.inp -0.356859139125 OK ( 0.03 sec) atom_3.inp -0.462506882641 OK ( 0.03 sec) - atom_4.inp -0.146531730136 OK ( 0.09 sec) - atom_5.inp -0.462506882641 OK ( 0.05 sec) - atom_c1.inp -0.460470116001 OK ( 0.03 sec) + atom_4.inp -0.146531730136 OK ( 0.03 sec) + atom_5.inp -0.462506882641 OK ( 0.03 sec) + atom_c1.inp -0.460470116001 OK ( 0.01 sec) atom_c2.inp -0.348633649362 OK ( 0.02 sec) - atom_c3.inp -0.460470116001 OK ( 0.01 sec) + atom_c3.inp -0.460470116001 OK ( 0.07 sec) atom_c4.inp -0.038182392054 OK ( 0.01 sec) - atom_c5.inp -0.460470116001 OK ( 0.01 sec) + atom_c5.inp -0.460470116001 OK ( 0.02 sec) slater_0.inp -2.847630187388 OK ( 0.01 sec) slater_1.inp -526.292493965898 OK ( 0.01 sec) - slater_2.inp -24.243036046117 OK ( 0.14 sec) + slater_2.inp -24.243036046117 OK ( 0.13 sec) slater_3.inp -2.838751324071 OK ( 0.01 sec) - slater_4.inp 8.063992740899 OK ( 0.03 sec) - slater_5.inp 109583.1142107928 OK ( 0.03 sec) + slater_4.inp 8.063992740899 OK ( 0.02 sec) + slater_5.inp 109583.1142107928 OK ( 0.02 sec) slater_6.inp 3762956.0633395291 OK ( 0.08 sec) - slater_7.inp -2.8616551305 OK ( 0.41 sec) - slater_8.inp -0.1875976021 OK ( 0.08 sec) - slater_9.inp -525.7615443522 OK ( 0.07 sec) + slater_7.inp -2.8616551305 OK ( 0.40 sec) + slater_8.inp -0.1875976021 OK ( 0.03 sec) + slater_9.inp -525.7615443522 OK ( 0.12 sec) slater_10.inp -2.841058209720 OK ( 0.01 sec) - Hg.inp -19601.624766751065 OK ( 1.33 sec) + Hg.inp -19601.624766751065 OK ( 1.32 sec) C.inp -37.799871796427 OK ( 0.12 sec) C_ADMM.inp -37.758721798836 OK ( 0.11 sec) - C_tpss.inp -37.801438870459 OK ( 0.17 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/ATOM/regtest-2 (5 of 47) done in 33.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-ri-rpa (6 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-ri-rpa - RI_RPA_H2O.inp -17.145691221376190 OK ( 8.42 sec) - RI_RPA_H2O_overlap_metric.inp -17.145538849244055 OK ( 7.74 sec) - RI_RPA_CH3.inp -7.415612316029161 OK ( 7.96 sec) - RI_RPA_H2O_SYRK.inp -17.145691221376179 OK ( 5.30 sec) - RI_RPA_minimax_H_atom.inp -0.510122901484697 OK ( 1.62 sec) - RI_RPA_H2O_minimax.inp -17.145691263471381 OK ( 5.98 sec) - RI_RPA_H2O_PBE0.inp -17.122863632433692 OK ( 5.51 sec) - RI_RPA_H2O_PBE0_ADMM1.inp -17.125217824055657 OK ( 8.18 sec) - RI_RPA_H2O_Obara_Saika.inp -17.160204463745362 OK ( 2.22 sec) - RI_RPA_H2O_svd.inp -17.145691221376175 OK ( 5.72 sec) - RI_RPA_H2O_overlap_metric_svd.inp -17.145530117968281 OK ( 3.57 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-ri-rpa (6 of 47) done in 70.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/MC/regtest (7 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/MC/regtest - MC_QS.inp -51.34794469 OK ( 1.93 sec) - MC_QS_restart.inp -51.34909000 OK ( 4.19 sec) - GEMC_NpT_box1.inp 0.49826574 OK ( 4.03 sec) - GEMC_NVT_box1.inp 0.49803069 OK ( 4.02 sec) - GEMC_swap_box1.inp 0.55872200 OK ( 2.62 sec) - canonical.inp 0.55333815 OK ( 0.22 sec) - canonical_bias.inp 0.38566238 OK ( 0.39 sec) + C_tpss.inp -37.801438870459 OK ( 0.28 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/ATOM/regtest-2 (5 of 47) done in 30.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-ri-rpa (6 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-ri-rpa + RI_RPA_H2O.inp -17.145691221376172 OK ( 4.42 sec) + RI_RPA_H2O_overlap_metric.inp -17.145538849244062 OK ( 4.55 sec) + RI_RPA_CH3.inp -7.415612316029160 OK ( 7.22 sec) + RI_RPA_H2O_SYRK.inp -17.145691221376168 OK ( 5.75 sec) + RI_RPA_minimax_H_atom.inp -0.510122901484697 OK ( 2.58 sec) + RI_RPA_H2O_minimax.inp -17.145691263471377 OK ( 25.78 sec) + RI_RPA_H2O_PBE0.inp -17.122863632433688 OK ( 7.72 sec) + RI_RPA_H2O_PBE0_ADMM1.inp -17.125217824055667 OK ( 6.50 sec) + RI_RPA_H2O_Obara_Saika.inp -17.160204463745188 OK ( 2.06 sec) + RI_RPA_H2O_svd.inp -17.145691221376179 OK ( 5.08 sec) + RI_RPA_H2O_overlap_metric_svd.inp -17.145530117968292 OK ( 3.54 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-ri-rpa (6 of 47) done in 83.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/MC/regtest (7 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/MC/regtest + MC_QS.inp -51.34794469 OK ( 1.09 sec) + MC_QS_restart.inp -51.34909000 OK ( 1.57 sec) + GEMC_NpT_box1.inp 0.49826574 OK ( 0.69 sec) + GEMC_NVT_box1.inp 0.49803069 OK ( 0.64 sec) + GEMC_swap_box1.inp 0.55872200 OK ( 2.04 sec) + canonical.inp 0.55333815 OK ( 0.09 sec) + canonical_bias.inp 0.38566238 OK ( 0.28 sec) virial.inp -.723498E+03 OK ( 0.36 sec) - hmc.inp -2.49775342 OK ( 10.83 sec) - MC_QS_cluster.inp -123.50714373283508 OK ( 60.55 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/MC/regtest (7 of 47) done in 100.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-lvlshift (8 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-lvlshift - c2h2-gpw-inverse.inp -12.47387109223699 OK ( 9.00 sec) - c2h2-gpw-inverse.inp 0.261219 OK ( 4.94 sec) - c2h2-gpw-off.inp -12.47387109223698 OK ( 4.98 sec) - c2h2-gpw-off.inp 0.261219 OK ( 4.87 sec) - c2h2-gpw-reduce.inp -12.47387109223699 OK ( 4.81 sec) - c2h2-gpw-reduce.inp 0.261219 OK ( 4.84 sec) - c2h2-gpw-restore.inp -12.47387109223698 OK ( 4.26 sec) - c2h2-gpw-restore.inp 0.261219 OK ( 4.24 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-lvlshift (8 of 47) done in 47.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/DFTB/regtest-nonscc (9 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/DFTB/regtest-nonscc + hmc.inp -2.49775342 OK ( 11.43 sec) + MC_QS_cluster.inp -123.50714373283503 OK ( 27.51 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/MC/regtest (7 of 47) done in 52.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-lvlshift (8 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-lvlshift + c2h2-gpw-inverse.inp -12.47387109223698 OK ( 5.10 sec) + c2h2-gpw-inverse.inp 0.261219 OK ( 5.80 sec) + c2h2-gpw-off.inp -12.47387109223699 OK ( 5.37 sec) + c2h2-gpw-off.inp 0.261219 OK ( 4.85 sec) + c2h2-gpw-reduce.inp -12.47387109223699 OK ( 5.29 sec) + c2h2-gpw-reduce.inp 0.261219 OK ( 4.98 sec) + c2h2-gpw-restore.inp -12.47387109223699 OK ( 5.65 sec) + c2h2-gpw-restore.inp 0.261219 OK ( 5.24 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-lvlshift (8 of 47) done in 48.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/DFTB/regtest-nonscc (9 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/DFTB/regtest-nonscc ch2o-1.inp -5.82072731467941 OK ( 0.04 sec) ch2o-2.inp -5.82159061359821 OK ( 0.06 sec) ch2o-3.inp -5.81373413468792 OK ( 0.06 sec) ch2o-r.inp -5.81373413468792 OK ( 0.06 sec) h2-1.inp -0.70875565358819 OK ( 0.01 sec) - h2-2.inp -0.70875565358819 OK ( 0.01 sec) + h2-2.inp -0.70875565358819 OK ( 0.02 sec) h2-3.inp -0.70875565358819 OK ( 0.02 sec) h2-4.inp -0.71042952969308 OK ( 0.06 sec) - h2o-32_1.inp -131.08636939008764 OK ( 0.34 sec) - h2o-32_2.inp -131.07999691054354 OK ( 0.35 sec) - h2o-32_3.inp -131.07520911566399 OK ( 0.23 sec) - h2o-32_4.inp -131.07520911521181 OK ( 1.80 sec) - MoS.inp -2.99616182900092 OK ( 0.18 sec) + h2o-32_1.inp -131.08636939008764 OK ( 0.35 sec) + h2o-32_2.inp -131.07999691054354 OK ( 0.34 sec) + h2o-32_3.inp -131.07520911566399 OK ( 0.24 sec) + h2o-32_4.inp -131.07520911521181 OK ( 1.75 sec) + MoS.inp -2.99616182900092 OK ( 0.19 sec) n2.inp -4.86560729574766 OK ( 0.04 sec) s2.inp -4.83731808711857 OK ( 0.07 sec) ch2o_atprop.inp -5.81281420275335 OK ( 0.03 sec) - MoS_atprop.inp -2.99616182900092 OK ( 0.18 sec) - h2o-32_atprop.inp -131.08636939008764 OK ( 0.34 sec) + MoS_atprop.inp -2.99616182900092 OK ( 0.19 sec) + h2o-32_atprop.inp -131.08636939008764 OK ( 0.35 sec) co2_1.inp -8.55586246566686 OK ( 0.03 sec) co2_2.inp -8.55586246566686 OK ( 0.03 sec) co2_3.inp -8.55586246566686 OK ( 0.03 sec) - si_kp1.inp -10.06358203475393 OK ( 0.35 sec) - si_kp2.inp - OK ( 2.85 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/DFTB/regtest-nonscc (9 of 47) done in 20.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-tddfpt (10 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-tddfpt - H2O_tddfpt-s-1.inp 0.600232E+00 OK ( 0.54 sec) - H2O_tddfpt-t-1.inp 0.289055E+00 OK ( 0.64 sec) - NO_tddfpt-s-1.inp 0.319837E+00 OK ( 4.21 sec) - NO_tddfpt-t-1.inp 0.324319E+00 OK ( 23.12 sec) - H2O_tddfpt-s-2.inp 0.543390E+00 OK ( 0.97 sec) - H2O_tddfpt-t-2.inp 0.548605E+00 OK ( 4.16 sec) - NO_tddfpt-t-2.inp 0.340342E+00 OK ( 9.81 sec) - H2O_tddfpt-s-3.inp 0.543390E+00 OK ( 0.69 sec) - H2O_tddfpt-t-3.inp 0.579030E+00 OK ( 0.54 sec) - NO_tddfpt-s-3.inp 0.326331E+00 OK ( 2.79 sec) - NO_tddfpt-t-3.inp 0.340342E+00 OK ( 3.69 sec) - H2O_tddfpt_NTO.inp 0.542432E+00 OK ( 1.23 sec) - H2O_tddfpt_NTO_slist.inp 0.542432E+00 OK ( 1.45 sec) - H2O_tddfpt_NTO_restart.inp 0.542432E+00 OK ( 0.92 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-tddfpt (10 of 47) done in 66.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-tddfpt-lri (11 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-tddfpt-lri - h2o_lri01_only_es.inp 0.941247E+00 OK ( 8.77 sec) - h2o_lri02_es_and_gs.inp 0.942149E+00 OK ( 12.10 sec) - h2o_hfxlr.inp 0.216753E+00 OK ( 5.73 sec) - h2o_t01.inp 0.247964E+00 OK ( 4.74 sec) - h2o_t02.inp 0.236972E+00 OK ( 5.21 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-tddfpt-lri (11 of 47) done in 43.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/DFTB/regtest (12 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/DFTB/regtest - wdim_scc.inp -4.071762227106625 OK ( 0.05 sec) - wdim_nonscc.inp -4.103196491657342 OK ( 0.04 sec) - wdimmc_scc.inp -4.073207386660247 OK ( 0.04 sec) - wdimmc_nonscc.inp -4.104297786205957 OK ( 0.04 sec) - epc_1.inp -4.071784048619485 OK ( 0.05 sec) - epc_2.inp -4.071742011375123 OK ( 0.04 sec) - epc_3.inp -4.103221098162718 OK ( 0.04 sec) - epc_4.inp -4.071792193944630 OK ( 0.07 sec) - fdeb_1.inp - OK ( 1.29 sec) - fdeb_2.inp - OK ( 10.00 sec) - fdeb_3.inp - OK ( 0.77 sec) - fdeb_4.inp - OK ( 3.75 sec) - fdeb_5.inp - OK ( 3.25 sec) - fdeb_6.inp - OK ( 13.14 sec) - fdeb_7.inp - OK ( 19.83 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/DFTB/regtest (12 of 47) done in 64.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-ri-mp2 (13 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-ri-mp2 - RI_MP2_H2O.inp -17.182557666877447 OK ( 46.79 sec) - RI_MP2_H2O_MME.inp -17.054236987683790 OK ( 5.83 sec) - RI_MP2_H2O_NONORTHO_MME.inp -17.056851399834585 OK ( 12.58 sec) - RI_MP2_CH3.inp -7.284101370683138 OK ( 12.15 sec) - RI_MP2_CH3_single_group.inp -7.284101370683135 OK ( 12.17 sec) - RI_MP2_CH3_auto.inp -7.283986189880403 OK ( 15.41 sec) - RI_MP2_H2O_svd.inp -17.049485626822381 OK ( 9.68 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-ri-mp2 (13 of 47) done in 123.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-hirshfeld (14 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-hirshfeld - htest_1.inp -17.14603641519600 OK ( 2.62 sec) - htest_2.inp -17.14603641519600 OK ( 0.44 sec) - htest_3.inp -17.14603641519600 OK ( 1.12 sec) - htest_4.inp -17.14603641519600 OK ( 0.53 sec) - htest_5.inp -17.14603641519600 OK ( 0.56 sec) - htest_6.inp -17.14603641519601 OK ( 1.47 sec) - htest_7.inp -17.13771713041179 OK ( 0.80 sec) - htest_8.inp -17.13771713041179 OK ( 1.19 sec) - htest_9.inp -17.13771713041177 OK ( 0.98 sec) - hlsd_1.inp -16.81101156813313 OK ( 0.97 sec) - hlsd_2.inp -16.81101156813314 OK ( 0.92 sec) - hlsd_3.inp -16.81101156813313 OK ( 1.19 sec) - hlsd_4.inp -16.81101156813313 OK ( 1.05 sec) - hlsd_5.inp -16.81101156813314 OK ( 3.06 sec) - hlsd_6.inp -16.80070757658132 OK ( 1.15 sec) - hlsd_7.inp -16.80070757658132 OK ( 0.64 sec) - hlsd_8.inp -16.80070757658133 OK ( 0.93 sec) - hlsd_9.inp -16.80070757658133 OK ( 0.52 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-hirshfeld (14 of 47) done in 45.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-gpw-2-1 (15 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-gpw-2-1 - H2-vib.inp 3855.524137 OK ( 7.35 sec) - H2-vib_tc.inp -5.75148845 OK ( 5.99 sec) - N2_raman.inp 2662.743559 OK ( 20.18 sec) - H2O-2.inp -17.14619644944913 OK ( 0.87 sec) - H2O-3.inp -17.14553123442895 OK ( 1.42 sec) - H2O-4.inp -17.14677584577026 OK ( 1.64 sec) - ZrO.inp -62.20561057734395 OK ( 0.56 sec) - Ar-12.inp -21.04251999575908 OK ( 0.59 sec) - Ar-13.inp -21.12624107439711 OK ( 1.19 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-gpw-2-1 (15 of 47) done in 48.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/QS/regtest-2-erf (16 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/QS/regtest-2-erf - H2O-qmmm-gauss-14-geep-2.inp -12.90417644796693 OK ( 0.31 sec) - H2O-qmmm-gauss-14-geep-3.inp -12.90712061196072 OK ( 0.21 sec) - H2O-qmmm-gauss-14-geep-4.inp -12.90733560862245 OK ( 0.40 sec) - H2O-qmmm-gauss-14-geep-5.inp -12.92642686633918 OK ( 0.29 sec) - H2O-qmmm-gauss-14-geep-6.inp -12.92230602230405 OK ( 0.51 sec) - H2O-qmmm-gauss-14-geep-7.inp -12.91849696653665 OK ( 0.35 sec) - H2O-qmmm-gauss-14-geep-8.inp -12.91621682584685 OK ( 0.30 sec) - H2O-qmmm-gauss-14-geep-9.inp -12.91437166178600 OK ( 0.34 sec) - H2O-qmmm-gauss-14-geep-10.inp -12.91328069126082 OK ( 0.98 sec) - H2O-qmmm-gauss-14-geep-11.inp -12.91297474165068 OK ( 0.49 sec) - H2O-qmmm-gauss-14-geep-12.inp -12.91332340555362 OK ( 0.16 sec) - H2O-qmmm-gauss-14-geep-13.inp -12.91325023093565 OK ( 0.21 sec) - H2O-qmmm-gauss-14-geep-14.inp -12.91299456139048 OK ( 0.21 sec) - H2O-qmmm-gauss-14-geep-15.inp -12.91325018773841 OK ( 0.44 sec) - H2O-qmmm-gauss-14-geep-16.inp -12.91325925146547 OK ( 0.46 sec) - H2O-qmmm-gauss-14-geep-17.inp -12.91336718382167 OK ( 0.49 sec) - H2O-qmmm-gauss-14-geep-18.inp -12.91336753631511 OK ( 0.60 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/QS/regtest-2-erf (16 of 47) done in 19.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-dm-ls-scf-4 (17 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-dm-ls-scf-4 - H2O-dft-ls-DEFAULTS.inp -17.031737705912356 OK ( 0.48 sec) - H2O-dft-ls-NEWTONSCHULZ.inp -17.031737705912359 OK ( 0.44 sec) - H2O-dft-ls-PROOT3.inp -17.031737715859990 OK ( 0.46 sec) - H2O-dft-ls-PROOT4.inp -17.031737702677937 OK ( 0.51 sec) - H2O-dft-ls-PROOT5.inp -17.031737600352216 OK ( 0.47 sec) - H2O-dft-ls-NEWTONSCHULZ3.inp -17.031737706156232 OK ( 0.45 sec) - H2O-dft-ls-NEWTONSCHULZ4.inp -17.031737706156232 OK ( 0.44 sec) - H2O-dft-ls-NEWTONSCHULZ5.inp -17.031737706156235 OK ( 0.50 sec) - H2O-dft-ls-NEWTONSCHULZ6.inp -17.031737706156157 OK ( 0.82 sec) - H2O-dft-ls-NEWTONSCHULZ7.inp -17.031737706162673 OK ( 0.53 sec) - H2O-dft-ls-NEWTONSCHULZ-SYMMETRIC.inp -17.031737705912356 OK ( 0.41 sec) - H2O-dft-ls-SUBMATRIX-NS.inp -17.031737705912356 OK ( 0.47 sec) - H2O-dft-ls-SUBMATRIX-NS3.inp -17.031737706156235 OK ( 0.95 sec) - H2O-dft-ls-SUBMATRIX-DIRECT.inp -17.031737706156235 OK ( 0.57 sec) - H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ.inp -17.031737706156235 OK ( 0.44 sec) - H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp -17.031737706156232 OK ( 0.41 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-dm-ls-scf-4 (17 of 47) done in 18.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-ps-implicit-2-3 (18 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-ps-implicit-2-3 - H2O_mixed_periodic_cuboidal.inp -17.23631232134669 OK ( 15.52 sec) - H2O_mixed_periodic_cylindrical.inp -17.32193400041643 OK ( 9.10 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-ps-implicit-2-3 (18 of 47) done in 27.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-polar (19 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-polar - h2o_LRraman.inp 0.006179870499 OK ( 0.30 sec) - h2o_LRraman_loc.inp 0.009267643345 OK ( 6.49 sec) - h2o_LRraman_noort.inp 0.020215112241 OK ( 0.94 sec) - H2O_md_polar.inp 0.619470373245 OK ( 8.63 sec) - xTB_LRraman.inp 0.807352993847 OK ( 0.11 sec) + si_kp1.inp -10.06358203475393 OK ( 0.37 sec) + si_kp2.inp - OK ( 2.81 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/DFTB/regtest-nonscc (9 of 47) done in 19.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-tddfpt (10 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-tddfpt + H2O_tddfpt-s-1.inp 0.600232E+00 OK ( 0.45 sec) + H2O_tddfpt-t-1.inp 0.289055E+00 OK ( 0.42 sec) + NO_tddfpt-s-1.inp 0.319837E+00 OK ( 2.82 sec) + NO_tddfpt-t-1.inp 0.324319E+00 OK ( 2.77 sec) + H2O_tddfpt-s-2.inp 0.543390E+00 OK ( 0.47 sec) + H2O_tddfpt-t-2.inp 0.548605E+00 OK ( 0.49 sec) + NO_tddfpt-t-2.inp 0.340342E+00 OK ( 3.09 sec) + H2O_tddfpt-s-3.inp 0.543390E+00 OK ( 0.57 sec) + H2O_tddfpt-t-3.inp 0.579030E+00 OK ( 0.52 sec) + NO_tddfpt-s-3.inp 0.326331E+00 OK ( 1.95 sec) + NO_tddfpt-t-3.inp 0.340342E+00 OK ( 3.46 sec) + H2O_tddfpt_NTO.inp 0.542432E+00 OK ( 1.37 sec) + H2O_tddfpt_NTO_slist.inp 0.542432E+00 OK ( 0.93 sec) + H2O_tddfpt_NTO_restart.inp 0.542432E+00 OK ( 0.82 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-tddfpt (10 of 47) done in 28.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-tddfpt-lri (11 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-tddfpt-lri + h2o_lri01_only_es.inp 0.941247E+00 OK ( 10.66 sec) + h2o_lri02_es_and_gs.inp 0.942149E+00 OK ( 9.49 sec) + h2o_hfxlr.inp 0.216753E+00 OK ( 4.70 sec) + h2o_t01.inp 0.247964E+00 OK ( 2.66 sec) + h2o_t02.inp 0.236972E+00 OK ( 3.11 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-tddfpt-lri (11 of 47) done in 35.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/DFTB/regtest (12 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/DFTB/regtest + wdim_scc.inp -4.071762227106625 OK ( 0.70 sec) + wdim_nonscc.inp -4.103196491657342 OK ( 0.03 sec) + wdimmc_scc.inp -4.073207386660247 OK ( 0.17 sec) + wdimmc_nonscc.inp -4.104297786205957 OK ( 0.20 sec) + epc_1.inp -4.071784048619485 OK ( 0.19 sec) + epc_2.inp -4.071742011375123 OK ( 0.05 sec) + epc_3.inp -4.103221098162718 OK ( 0.12 sec) + epc_4.inp -4.071792193944630 OK ( 0.12 sec) + fdeb_1.inp - OK ( 1.62 sec) + fdeb_2.inp - OK ( 4.13 sec) + fdeb_3.inp - OK ( 0.73 sec) + fdeb_4.inp - OK ( 2.47 sec) + fdeb_5.inp - OK ( 3.28 sec) + fdeb_6.inp - OK ( 6.11 sec) + fdeb_7.inp - OK ( 7.22 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/DFTB/regtest (12 of 47) done in 37.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-ri-mp2 (13 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-ri-mp2 + RI_MP2_H2O.inp -17.182557666877447 OK ( 7.88 sec) + RI_MP2_H2O_MME.inp -17.054236987683794 OK ( 2.36 sec) + RI_MP2_H2O_NONORTHO_MME.inp -17.056851399834589 OK ( 5.42 sec) + RI_MP2_CH3.inp -7.284101370683138 OK ( 5.17 sec) + RI_MP2_CH3_single_group.inp -7.284101370683136 OK ( 4.15 sec) + RI_MP2_CH3_auto.inp -7.283986189880401 OK ( 3.18 sec) + RI_MP2_H2O_svd.inp -17.049485626822378 OK ( 5.41 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-ri-mp2 (13 of 47) done in 39.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-hirshfeld (14 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-hirshfeld + htest_1.inp -17.14603641519600 OK ( 0.30 sec) + htest_2.inp -17.14603641519601 OK ( 0.36 sec) + htest_3.inp -17.14603641519600 OK ( 0.45 sec) + htest_4.inp -17.14603641519600 OK ( 0.44 sec) + htest_5.inp -17.14603641519600 OK ( 0.26 sec) + htest_6.inp -17.14603641519601 OK ( 0.91 sec) + htest_7.inp -17.13771713041179 OK ( 0.45 sec) + htest_8.inp -17.13771713041179 OK ( 0.61 sec) + htest_9.inp -17.13771713041178 OK ( 0.58 sec) + hlsd_1.inp -16.81101156813313 OK ( 0.65 sec) + hlsd_2.inp -16.81101156813314 OK ( 0.63 sec) + hlsd_3.inp -16.81101156813313 OK ( 0.94 sec) + hlsd_4.inp -16.81101156813313 OK ( 0.66 sec) + hlsd_5.inp -16.81101156813313 OK ( 1.72 sec) + hlsd_6.inp -16.80070757658133 OK ( 2.75 sec) + hlsd_7.inp -16.80070757658133 OK ( 1.49 sec) + hlsd_8.inp -16.80070757658133 OK ( 1.98 sec) + hlsd_9.inp -16.80070757658132 OK ( 1.41 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-hirshfeld (14 of 47) done in 31.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-gpw-2-1 (15 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-gpw-2-1 + H2-vib.inp 3855.524137 OK ( 13.58 sec) + H2-vib_tc.inp -5.75148845 OK ( 7.43 sec) + N2_raman.inp 2662.743559 OK ( 15.98 sec) + H2O-2.inp -17.14619644944912 OK ( 1.15 sec) + H2O-3.inp -17.14553123442894 OK ( 1.22 sec) + H2O-4.inp -17.14677584577025 OK ( 1.33 sec) + ZrO.inp -62.20561057734395 OK ( 0.89 sec) + Ar-12.inp -21.04251999575907 OK ( 0.78 sec) + Ar-13.inp -21.12624107439710 OK ( 0.92 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-gpw-2-1 (15 of 47) done in 53.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/QS/regtest-2-erf (16 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/QS/regtest-2-erf + H2O-qmmm-gauss-14-geep-2.inp -12.90417644796693 OK ( 0.65 sec) + H2O-qmmm-gauss-14-geep-3.inp -12.90712061196072 OK ( 0.27 sec) + H2O-qmmm-gauss-14-geep-4.inp -12.90733560862246 OK ( 0.26 sec) + H2O-qmmm-gauss-14-geep-5.inp -12.92642686633918 OK ( 0.24 sec) + H2O-qmmm-gauss-14-geep-6.inp -12.92230602230405 OK ( 0.17 sec) + H2O-qmmm-gauss-14-geep-7.inp -12.91849696653665 OK ( 0.15 sec) + H2O-qmmm-gauss-14-geep-8.inp -12.91621682584685 OK ( 0.20 sec) + H2O-qmmm-gauss-14-geep-9.inp -12.91437166178601 OK ( 0.25 sec) + H2O-qmmm-gauss-14-geep-10.inp -12.91328069126082 OK ( 0.40 sec) + H2O-qmmm-gauss-14-geep-11.inp -12.91297474165068 OK ( 0.65 sec) + H2O-qmmm-gauss-14-geep-12.inp -12.91332340555362 OK ( 0.47 sec) + H2O-qmmm-gauss-14-geep-13.inp -12.91325023093564 OK ( 0.16 sec) + H2O-qmmm-gauss-14-geep-14.inp -12.91299456139048 OK ( 0.38 sec) + H2O-qmmm-gauss-14-geep-15.inp -12.91325018773841 OK ( 0.51 sec) + H2O-qmmm-gauss-14-geep-16.inp -12.91325925146547 OK ( 0.66 sec) + H2O-qmmm-gauss-14-geep-17.inp -12.91336718382167 OK ( 1.38 sec) + H2O-qmmm-gauss-14-geep-18.inp -12.91336753631512 OK ( 1.11 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/QS/regtest-2-erf (16 of 47) done in 22.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-dm-ls-scf-4 (17 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-dm-ls-scf-4 + H2O-dft-ls-DEFAULTS.inp -17.031737705912356 OK ( 0.63 sec) + H2O-dft-ls-NEWTONSCHULZ.inp -17.031737705912359 OK ( 0.78 sec) + H2O-dft-ls-PROOT3.inp -17.031737715859990 OK ( 0.54 sec) + H2O-dft-ls-PROOT4.inp -17.031737702677937 OK ( 1.15 sec) + H2O-dft-ls-PROOT5.inp -17.031737600352216 OK ( 0.89 sec) + H2O-dft-ls-NEWTONSCHULZ3.inp -17.031737706156235 OK ( 0.60 sec) + H2O-dft-ls-NEWTONSCHULZ4.inp -17.031737706156232 OK ( 0.53 sec) + H2O-dft-ls-NEWTONSCHULZ5.inp -17.031737706156235 OK ( 1.07 sec) + H2O-dft-ls-NEWTONSCHULZ6.inp -17.031737706156157 OK ( 0.97 sec) + H2O-dft-ls-NEWTONSCHULZ7.inp -17.031737706162676 OK ( 0.96 sec) + H2O-dft-ls-NEWTONSCHULZ-SYMMETRIC.inp -17.031737705912356 OK ( 0.55 sec) + H2O-dft-ls-SUBMATRIX-NS.inp -17.031737705912356 OK ( 0.85 sec) + H2O-dft-ls-SUBMATRIX-NS3.inp -17.031737706156235 OK ( 0.61 sec) + H2O-dft-ls-SUBMATRIX-DIRECT.inp -17.031737706156235 OK ( 0.42 sec) + H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ.inp -17.031737706156235 OK ( 0.93 sec) + H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp -17.031737706156235 OK ( 0.43 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-dm-ls-scf-4 (17 of 47) done in 25.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-ps-implicit-2-3 (18 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-ps-implicit-2-3 + H2O_mixed_periodic_cuboidal.inp -17.23631232134669 OK ( 19.99 sec) + H2O_mixed_periodic_cylindrical.inp -17.32193400041630 OK ( 9.03 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-ps-implicit-2-3 (18 of 47) done in 32.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-polar (19 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-polar + h2o_LRraman.inp 0.006179870499 OK ( 0.29 sec) + h2o_LRraman_loc.inp 0.009267643345 OK ( 7.19 sec) + h2o_LRraman_noort.inp 0.020215112241 OK ( 2.12 sec) + H2O_md_polar.inp 0.619470373245 OK ( 20.08 sec) + xTB_LRraman.inp 0.807352993847 OK ( 0.19 sec) xTB_LRraman_loc.inp 0.807352993847 OK ( 0.12 sec) - h2o_LRraman_LRI.inp 0.004283825602 OK ( 2.10 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-polar (19 of 47) done in 24.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-hfx-stress (20 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-hfx-stress - ch3-admm.inp -7.17220679285E+04 OK ( 6.65 sec) - ch3.inp 2.83902802206E+05 OK ( 3.28 sec) - ch4-admm.inp -7.10694854893E+04 OK ( 5.29 sec) - h2o.inp 1.26297506368E+05 OK ( 4.45 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-hfx-stress (20 of 47) done in 23.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/QS/regtest-gapw (21 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/QS/regtest-gapw - C11H24-qmmmgapwall-gauss-0.inp -156.88271046728133 OK ( 11.38 sec) - C11H24-qmmmgapw-gauss-0.inp -28.0421973526 OK ( 3.48 sec) - H2O-qmmm-gapw-fdbg.inp -15.85173442489611 OK ( 53.85 sec) - H2O-qmmm-hfx.inp -0.176043379384E+02 OK ( 7.65 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/QS/regtest-gapw (21 of 47) done in 81.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/SE/regtest_2 (22 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/SE/regtest_2 - nh3_g4x6_excl_mm.inp -0.913069017786E+01 OK ( 1.65 sec) - nh3_g4x6_excl_qm.inp -0.913127863162E+01 OK ( 0.48 sec) - water_colv_excl_mm.inp -0.128071776255E+02 OK ( 0.46 sec) - water_colv_excl_qm.inp -0.128078086386E+02 OK ( 0.42 sec) - water_fixd_excl_mm.inp -0.128094856912E+02 OK ( 0.53 sec) - water_fixd_excl_qm.inp -0.128087667071E+02 OK ( 0.41 sec) - water_g3x3_excl_mm.inp -0.128057061878E+02 OK ( 0.61 sec) - water_g3x3_excl_qm.inp -0.128090813557E+02 OK ( 0.94 sec) - Si_tersoff_qmmm.inp -3418.06809308970514 OK ( 3.83 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/SE/regtest_2 (22 of 47) done in 17.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/Fist/regtest-11 (23 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/Fist/regtest-11 - H2O-32_NVT_CSVR_gen1.inp -0.609208076083E+00 OK ( 0.15 sec) - H2O-32_NVT_CSVR_gen2.inp -0.532133592588E+00 OK ( 0.14 sec) - H2O-32_NVT_CSVR_gen3.inp -0.500113893497E+00 OK ( 0.22 sec) - H2O-32_NVT_NOSE_gen_noCNS0.inp -0.492823650978E+00 OK ( 0.14 sec) - H2O-32_NVT_CSVR_gen_noCNS1.inp -0.509272888286E+00 OK ( 0.21 sec) - H2O-32_NVT_CSVR_gen_noCNS1_R.inp -0.458244617541E+00 OK ( 0.27 sec) - H2O-32_NVT_CSVR_gen_noCNS2.inp -0.505086327342E+00 OK ( 0.16 sec) - H2O-32_NVT_CSVR_gen_noCNS2_R.inp -0.448996689945E+00 OK ( 0.18 sec) - H2O-32_NVT_NOSE_gen_noCNS1.inp -0.495791635301E+00 OK ( 0.18 sec) - H2O-32_NVT_NOSE_gen_noCNS1_R.inp -0.494111874054E+00 OK ( 0.14 sec) - H2O-32_NVT_NOSE_gen_noCNS2.inp -0.484511068410E+00 OK ( 0.16 sec) - H2O-32_NVT_NOSE_gen_noCNS2_R.inp -0.470407397710E+00 OK ( 0.29 sec) - H2O-32_NVT_CSVR_gen_noCNS3.inp -0.505086327342E+00 OK ( 0.18 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/Fist/regtest-11 (23 of 47) done in 9.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-ot-refine-3 (24 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-ot-refine-3 - h2o_ot_lwdn_on_the_fly_l1.inp -17.13045715683763 OK ( 0.48 sec) - h2o_ot_poly_on_the_fly_l1.inp -17.13045715683763 OK ( 0.50 sec) - o2_ot_lwdn_on_the_fly_l1.inp -31.70815200232892 OK ( 0.78 sec) - o2_ot_poly_on_the_fly_l1.inp -31.70815200232893 OK ( 0.63 sec) - h2o_ot_refine_3.inp -17.08884672065212 OK ( 0.30 sec) - h2o_ot_refine_4.inp -17.11857283464188 OK ( 0.14 sec) - o2_ot_refine_3.inp -31.60858514413052 OK ( 0.32 sec) - o2_ot_refine_4.inp -31.58768162895350 OK ( 0.27 sec) - h2o_ot_precond_1.inp -16.05766867329443 OK ( 0.08 sec) - h2o_ot_precond_2.inp -16.06790080254975 OK ( 0.08 sec) - h2o_ot_precond_3.inp -16.02559849783371 OK ( 0.09 sec) - h2o_ot_precond_4.inp -15.85782186391534 OK ( 0.08 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-ot-refine-3 (24 of 47) done in 11.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/FARMING/regtest-1 (25 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/FARMING/regtest-1 - farming-1.inp - OK ( 0.87 sec) - farming-2.inp - OK ( 0.74 sec) - farming-3.inp - OK ( 1.06 sec) - farming-4.inp - OK ( 1.85 sec) - farming-5.inp - OK ( 1.60 sec) - farming-6.inp - OK ( 0.69 sec) - farming-7.inp - OK ( 0.50 sec) - farming-8.inp - OK ( 0.63 sec) - farming-9.inp - OK ( 0.09 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/FARMING/regtest-1 (25 of 47) done in 14.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-md-lgvregion (26 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-md-lgvregion - langevin_regions-1.inp -34.28350497029996 OK ( 1.19 sec) - langevin_regions-2.inp -34.29678091854696 OK ( 1.74 sec) - langevin_regions-3.inp -34.28350497029996 OK ( 1.54 sec) - langevin_regions-4.inp -34.28727330165906 OK ( 2.45 sec) - langevin_regions-5.inp -34.36743843099325 OK ( 2.38 sec) - langevin_regions-6.inp -34.36335813030996 OK ( 4.43 sec) - langevin_regions-7.inp -34.37404120268138 OK ( 3.16 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-md-lgvregion (26 of 47) done in 22.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/QS/regtest-4 (27 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/QS/regtest-4 - crys_per_qmmm.inp -0.08375440741138 OK ( 1.60 sec) - crys_per_qmmm_anal.inp -0.03306937253911 OK ( 2.04 sec) - crys_per_qmmm_spln.inp -0.03306936689210 OK ( 2.44 sec) - crys_per_qmmm_none.inp -0.08375440741161 OK ( 0.70 sec) - acn-qmmm-re.inp -14.78512402428144 OK ( 0.52 sec) - acn-conn-1.inp -291.88277950557909 OK ( 3.05 sec) - wat_nacl.inp -16.691503876246991 OK ( 1.35 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/QS/regtest-4 (27 of 47) done in 17.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-all-electron (28 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-all-electron - H2O-xrd.inp -9.9999991403 OK ( 0.96 sec) - H2O-rhotot-cube.inp -9.9999990366 OK ( 1.77 sec) - NO2-rhotot-cube.inp -1.0000002244 OK ( 4.42 sec) - H2O-rho_hard_approx-cube.inp -10.0000390554 OK ( 2.64 sec) - NO2-rho_hard_approx-cube.inp -1.0000006762 OK ( 2.23 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-all-electron (28 of 47) done in 16.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-gapw-2 (29 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-gapw-2 - Li-ROKS.inp -7.33891040994163 OK ( 1.03 sec) - NO2-ROKS.inp -203.77833570926873 OK ( 2.23 sec) - C-levelshift.inp -37.44694658478266 OK ( 1.08 sec) - H2-pbe-restart-run.inp -0.60698327541571 OK ( 2.78 sec) - H2-pbe-restart-rerun.inp -0.60698327541577 OK ( 1.22 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-gapw-2 (29 of 47) done in 12.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-mp2-1 (30 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-mp2-1 - H2O-01.inp -76.263035235012225 OK ( 4.38 sec) - Li.inp -7.442887463667670 OK ( 5.01 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-mp2-1 (30 of 47) done in 12.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-hybrid-1 (31 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-hybrid-1 - H2O-hybrid-bhandh.inp -75.90482120088629 OK ( 1.76 sec) - H2O-hybrid-bhandhlyp.inp -76.33558053104204 OK ( 1.39 sec) - H2O-hybrid-pbe0.inp -76.31995335312703 OK ( 1.80 sec) - H2O-hybrid-b3lyp.inp -76.37338940401877 OK ( 1.94 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-hybrid-1 (31 of 47) done in 10.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-optbas (32 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-optbas - H2O-ref.inp -17.02896604845333 OK ( 0.75 sec) - H2-ref.inp -1.11824989194244 OK ( 0.59 sec) - opt-1.inp -.46916008E+03 OK ( 2.21 sec) - opt-2.inp -.55279835E+03 OK ( 3.20 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-optbas (32 of 47) done in 10.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-almo-eda (33 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-almo-eda - almo-eda-x.inp -85.963743073058509 OK ( 10.43 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-almo-eda (33 of 47) done in 12.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-cdft-3-1 (34 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-cdft-3-1 - HeH-noconstraint.inp -3.01067446615065 OK ( 1.09 sec) - HeH-cdft-state-1.inp 0.048406444545 OK ( 1.16 sec) - HeH-cdft-state-2-reversed.inp -1.819391902440 OK ( 2.09 sec) - HeH-mixed-cdft-reversed-1.inp 616.641603574682 OK ( 0.46 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-cdft-3-1 (34 of 47) done in 8.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-pao-3 (35 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-pao-3 - He_ref.inp -2.889334869153457 OK ( 0.76 sec) - He_pao_initguess_exp.inp -2.888972913350901 OK ( 0.32 sec) - He_pao_initguess_fock.inp -2.888972913350901 OK ( 0.32 sec) - He_pao_initguess_rotinv.inp -2.888972913350901 OK ( 0.30 sec) - He_pao_initguess_gth.inp -2.888972913350901 OK ( 0.33 sec) - He_pao_initguess_equi.inp -2.888972913384499 OK ( 0.25 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-pao-3 (35 of 47) done in 7.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-double-hybrid-2 (36 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-double-hybrid-2 - H2O_B2GPPLYP.inp -76.279036985508782 OK ( 3.06 sec) - H2O_DSD-BLYP.inp -76.311305833143180 OK ( 2.75 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-double-hybrid-2 (36 of 47) done in 8.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-sccs-2 (37 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-sccs-2 - H2O_sccs_otdiis_cd5.inp -17.22654049702944 OK ( 8.37 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-sccs-2 (37 of 47) done in 10.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-properties/resp (38 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-properties/resp - CH3OH_nonperiodic.inp 4.418290 OK ( 0.35 sec) - CH3OH_periodic.inp 2.456029 OK ( 0.25 sec) - graphite.inp -1.073313 OK ( 0.65 sec) - CH3OH_periodic_repeat.inp -4.871712 OK ( 0.38 sec) - graphite_REPEAT.inp 0.006058 OK ( 0.89 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-properties/resp (38 of 47) done in 6.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/NEB/regtest-1 (39 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/NEB/regtest-1 - 2gly_B-NEB.inp -0.25722568775438 OK ( 1.96 sec) - 2gly_CI-NEB.inp -0.18925537289820 OK ( 1.22 sec) - 2gly_EB-NEB.inp 49.27319370383207 OK ( 1.01 sec) - 2gly_IT-NEB.inp 0.38518828458623 OK ( 0.60 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/NEB/regtest-1 (39 of 47) done in 8.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/SE/regtest-3-1 (40 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/SE/regtest-3-1 - H2O-MNDO-2.inp -351.42145109555821 OK ( 0.24 sec) - H-0.inp -0.319258384771667 OK ( 0.04 sec) + h2o_LRraman_LRI.inp 0.004283825602 OK ( 2.76 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-polar (19 of 47) done in 40.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-hfx-stress (20 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-hfx-stress + ch3-admm.inp -7.17220679340E+04 OK ( 12.72 sec) + ch3.inp 2.83902802206E+05 OK ( 7.71 sec) + ch4-admm.inp -7.10694854919E+04 OK ( 9.38 sec) + h2o.inp 1.26297506368E+05 OK ( 2.53 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-hfx-stress (20 of 47) done in 37.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/QS/regtest-gapw (21 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/QS/regtest-gapw + C11H24-qmmmgapwall-gauss-0.inp -156.88271046728127 OK ( 1.93 sec) + C11H24-qmmmgapw-gauss-0.inp -28.0421973526 OK ( 1.36 sec) + H2O-qmmm-gapw-fdbg.inp -15.85173442489609 OK ( 22.32 sec) + H2O-qmmm-hfx.inp -0.176043379384E+02 OK ( 5.56 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/QS/regtest-gapw (21 of 47) done in 36.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/SE/regtest_2 (22 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/SE/regtest_2 + nh3_g4x6_excl_mm.inp -0.913069017786E+01 OK ( 1.49 sec) + nh3_g4x6_excl_qm.inp -0.913127863162E+01 OK ( 2.48 sec) + water_colv_excl_mm.inp -0.128071776255E+02 OK ( 1.79 sec) + water_colv_excl_qm.inp -0.128078086386E+02 OK ( 1.86 sec) + water_fixd_excl_mm.inp -0.128094856912E+02 OK ( 1.69 sec) + water_fixd_excl_qm.inp -0.128087667071E+02 OK ( 0.79 sec) + water_g3x3_excl_mm.inp -0.128057061878E+02 OK ( 0.47 sec) + water_g3x3_excl_qm.inp -0.128090813557E+02 OK ( 1.18 sec) + Si_tersoff_qmmm.inp -3418.06809308970514 OK ( 7.86 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/SE/regtest_2 (22 of 47) done in 26.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/Fist/regtest-11 (23 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/Fist/regtest-11 + H2O-32_NVT_CSVR_gen1.inp -0.609208076083E+00 OK ( 0.33 sec) + H2O-32_NVT_CSVR_gen2.inp -0.532133592588E+00 OK ( 0.20 sec) + H2O-32_NVT_CSVR_gen3.inp -0.500113893497E+00 OK ( 0.37 sec) + H2O-32_NVT_NOSE_gen_noCNS0.inp -0.492823650978E+00 OK ( 0.64 sec) + H2O-32_NVT_CSVR_gen_noCNS1.inp -0.509272888286E+00 OK ( 0.45 sec) + H2O-32_NVT_CSVR_gen_noCNS1_R.inp -0.458244617541E+00 OK ( 0.76 sec) + H2O-32_NVT_CSVR_gen_noCNS2.inp -0.505086327342E+00 OK ( 0.28 sec) + H2O-32_NVT_CSVR_gen_noCNS2_R.inp -0.448996689945E+00 OK ( 0.43 sec) + H2O-32_NVT_NOSE_gen_noCNS1.inp -0.495791635301E+00 OK ( 0.25 sec) + H2O-32_NVT_NOSE_gen_noCNS1_R.inp -0.494111874054E+00 OK ( 0.54 sec) + H2O-32_NVT_NOSE_gen_noCNS2.inp -0.484511068410E+00 OK ( 0.64 sec) + H2O-32_NVT_NOSE_gen_noCNS2_R.inp -0.470407397710E+00 OK ( 0.51 sec) + H2O-32_NVT_CSVR_gen_noCNS3.inp -0.505086327342E+00 OK ( 0.21 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/Fist/regtest-11 (23 of 47) done in 16.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-ot-refine-3 (24 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-ot-refine-3 + h2o_ot_lwdn_on_the_fly_l1.inp -17.13045715683762 OK ( 0.40 sec) + h2o_ot_poly_on_the_fly_l1.inp -17.13045715683762 OK ( 0.32 sec) + o2_ot_lwdn_on_the_fly_l1.inp -31.70815200232891 OK ( 0.76 sec) + o2_ot_poly_on_the_fly_l1.inp -31.70815200232895 OK ( 0.60 sec) + h2o_ot_refine_3.inp -17.08884672065212 OK ( 0.18 sec) + h2o_ot_refine_4.inp -17.11857283464188 OK ( 0.24 sec) + o2_ot_refine_3.inp -31.60858514413052 OK ( 0.50 sec) + o2_ot_refine_4.inp -31.58768162895350 OK ( 0.29 sec) + h2o_ot_precond_1.inp -16.05766867329444 OK ( 0.15 sec) + h2o_ot_precond_2.inp -16.06790080254975 OK ( 0.22 sec) + h2o_ot_precond_3.inp -16.02559849783371 OK ( 0.12 sec) + h2o_ot_precond_4.inp -15.85782186391534 OK ( 0.09 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-ot-refine-3 (24 of 47) done in 14.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/FARMING/regtest-1 (25 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/FARMING/regtest-1 + farming-1.inp - OK ( 1.15 sec) + farming-2.inp - OK ( 1.83 sec) + farming-3.inp - OK ( 1.17 sec) + farming-4.inp - OK ( 1.20 sec) + farming-5.inp - OK ( 1.70 sec) + farming-6.inp - OK ( 1.23 sec) + farming-7.inp - OK ( 1.93 sec) + farming-8.inp - OK ( 1.28 sec) + farming-9.inp - OK ( 0.15 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/FARMING/regtest-1 (25 of 47) done in 19.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-md-lgvregion (26 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-md-lgvregion + langevin_regions-1.inp -34.28350497029995 OK ( 1.64 sec) + langevin_regions-2.inp -34.29678091854696 OK ( 1.96 sec) + langevin_regions-3.inp -34.28350497029995 OK ( 1.03 sec) + langevin_regions-4.inp -34.28727330165907 OK ( 3.17 sec) + langevin_regions-5.inp -34.36743843099326 OK ( 4.31 sec) + langevin_regions-6.inp -34.36335813030995 OK ( 2.28 sec) + langevin_regions-7.inp -34.37404120268138 OK ( 2.13 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-md-lgvregion (26 of 47) done in 23.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/QS/regtest-4 (27 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/QS/regtest-4 + crys_per_qmmm.inp -0.08375440741138 OK ( 1.53 sec) + crys_per_qmmm_anal.inp -0.03306937253911 OK ( 1.71 sec) + crys_per_qmmm_spln.inp -0.03306936689210 OK ( 1.22 sec) + crys_per_qmmm_none.inp -0.08375440741161 OK ( 0.78 sec) + acn-qmmm-re.inp -14.78512402428155 OK ( 0.37 sec) + acn-conn-1.inp -291.88277950559933 OK ( 3.07 sec) + wat_nacl.inp -16.691503876246994 OK ( 1.53 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/QS/regtest-4 (27 of 47) done in 15.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-all-electron (28 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-all-electron + H2O-xrd.inp -9.9999991403 OK ( 1.65 sec) + H2O-rhotot-cube.inp -9.9999990366 OK ( 2.89 sec) + NO2-rhotot-cube.inp -1.0000002244 OK ( 4.39 sec) + H2O-rho_hard_approx-cube.inp -10.0000390554 OK ( 1.27 sec) + NO2-rho_hard_approx-cube.inp -1.0000006762 OK ( 1.80 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-all-electron (28 of 47) done in 17.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-gapw-2 (29 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-gapw-2 + Li-ROKS.inp -7.33891040994163 OK ( 0.71 sec) + NO2-ROKS.inp -203.77833570926882 OK ( 1.60 sec) + C-levelshift.inp -37.44694658478266 OK ( 0.68 sec) + H2-pbe-restart-run.inp -0.60698327541571 OK ( 2.18 sec) + H2-pbe-restart-rerun.inp -0.60698327541577 OK ( 1.02 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-gapw-2 (29 of 47) done in 10.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-mp2-1 (30 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-mp2-1 + H2O-01.inp -76.263035235012254 OK ( 3.43 sec) + Li.inp -7.442887463667670 OK ( 5.35 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-mp2-1 (30 of 47) done in 11.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-hybrid-1 (31 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-hybrid-1 + H2O-hybrid-bhandh.inp -75.90482120088626 OK ( 1.44 sec) + H2O-hybrid-bhandhlyp.inp -76.33558053104204 OK ( 1.55 sec) + H2O-hybrid-pbe0.inp -76.31995335312703 OK ( 1.41 sec) + H2O-hybrid-b3lyp.inp -76.37338940401877 OK ( 1.53 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-hybrid-1 (31 of 47) done in 8.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-optbas (32 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-optbas + H2O-ref.inp -17.02896604845333 OK ( 0.65 sec) + H2-ref.inp -1.11824989194244 OK ( 0.46 sec) + opt-1.inp -.46916008E+03 OK ( 2.13 sec) + opt-2.inp -.55279835E+03 OK ( 2.41 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-optbas (32 of 47) done in 9.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-almo-eda (33 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-almo-eda + almo-eda-x.inp -85.963743073058509 OK ( 8.81 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-almo-eda (33 of 47) done in 11.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-cdft-3-1 (34 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-cdft-3-1 + HeH-noconstraint.inp -3.01067446615065 OK ( 0.87 sec) + HeH-cdft-state-1.inp 0.048406444545 OK ( 1.21 sec) + HeH-cdft-state-2-reversed.inp -1.819391902440 OK ( 1.26 sec) + HeH-mixed-cdft-reversed-1.inp 616.641603574681 OK ( 0.45 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-cdft-3-1 (34 of 47) done in 7.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-pao-3 (35 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-pao-3 + He_ref.inp -2.889334869153457 OK ( 0.59 sec) + He_pao_initguess_exp.inp -2.888972913350901 OK ( 0.28 sec) + He_pao_initguess_fock.inp -2.888972913350901 OK ( 0.31 sec) + He_pao_initguess_rotinv.inp -2.888972913350901 OK ( 0.31 sec) + He_pao_initguess_gth.inp -2.888972913350901 OK ( 0.28 sec) + He_pao_initguess_equi.inp -2.888972913384499 OK ( 0.27 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-pao-3 (35 of 47) done in 6.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-double-hybrid-2 (36 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-double-hybrid-2 + H2O_B2GPPLYP.inp -76.279036985508782 OK ( 3.00 sec) + H2O_DSD-BLYP.inp -76.311305833143166 OK ( 2.48 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-double-hybrid-2 (36 of 47) done in 9.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-sccs-2 (37 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-sccs-2 + H2O_sccs_otdiis_cd5.inp -17.22654049702943 OK ( 9.23 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-sccs-2 (37 of 47) done in 11.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-properties/resp (38 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-properties/resp + CH3OH_nonperiodic.inp 4.418290 OK ( 0.79 sec) + CH3OH_periodic.inp 2.456029 OK ( 0.60 sec) + graphite.inp -1.073313 OK ( 1.36 sec) + CH3OH_periodic_repeat.inp -4.871712 OK ( 0.51 sec) + graphite_REPEAT.inp 0.006058 OK ( 0.77 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-properties/resp (38 of 47) done in 9.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/NEB/regtest-1 (39 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/NEB/regtest-1 + 2gly_B-NEB.inp -0.25722568775266 OK ( 1.99 sec) + 2gly_CI-NEB.inp -0.18925537289822 OK ( 2.90 sec) + 2gly_EB-NEB.inp 49.27319370383207 OK ( 1.19 sec) + 2gly_IT-NEB.inp 0.38518828458623 OK ( 0.59 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/NEB/regtest-1 (39 of 47) done in 11.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/SE/regtest-3-1 (40 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/SE/regtest-3-1 + H2O-MNDO-2.inp -351.42145109555821 OK ( 0.18 sec) + H-0.inp -0.319258384771667 OK ( 0.10 sec) H2-0.inp -0.993280881213762 OK ( 0.10 sec) H2.inp -0.037305167769230 OK ( 0.08 sec) - H2O-MNDO.inp -12.913048351744980 OK ( 1.06 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/SE/regtest-3-1 (40 of 47) done in 5.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/optimize_input/regtest-1 (41 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/optimize_input/regtest-1 - argon-ref.inp - OK ( 0.19 sec) - driver.inp 0.1072347063760515E+03 OK ( 0.67 sec) - driver-restart.inp 0.1076965059321589E+03 OK ( 0.97 sec) - driver-stride.inp 0.1072343388958498E+03 OK ( 0.14 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/optimize_input/regtest-1 (41 of 47) done in 5.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/SWARM/regtest-glbopt-1 (42 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/SWARM/regtest-glbopt-1 - LJ10_minhop_1.inp -0.26595092E-01 OK ( 0.23 sec) - LJ10_minhop_2.inp -0.28422123E-01 OK ( 0.40 sec) - LJ10_mincrawl_1.inp -0.28422376E-01 OK ( 5.00 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/SWARM/regtest-glbopt-1 (42 of 47) done in 9.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-linearscaling (43 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-linearscaling - test-shrt.inp - OK ( 0.44 sec) - w3-filter.inp -51.14051793253210 OK ( 1.97 sec) - w3-filter-2.inp -78.30555080313511 OK ( 0.28 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-linearscaling (43 of 47) done in 6.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/FE/regtest-2 (44 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/FE/regtest-2 - Solv_alch_chng.inp -0.732003926645E+01 OK ( 6.97 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/FE/regtest-2 (44 of 47) done in 9.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/QS/regtest-lrigpw (45 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/QS/regtest-lrigpw - C11H24-qmmm-gauss-0-lrigpw.inp -28.00745026097175 OK ( 1.70 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QMMM/QS/regtest-lrigpw (45 of 47) done in 4.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-fftw (46 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-fftw - H2-big-1.inp -28.149134408985859 OK ( 0.68 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-fftw (46 of 47) done in 2.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-elpa (47 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-elpa - H2O-6.inp -17.14603641519601 OK ( 0.24 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/tests/QS/regtest-elpa (47 of 47) done in 2.00 sec + H2O-MNDO.inp -12.913048351744980 OK ( 1.39 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/SE/regtest-3-1 (40 of 47) done in 6.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/optimize_input/regtest-1 (41 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/optimize_input/regtest-1 + argon-ref.inp - OK ( 0.06 sec) + driver.inp 0.1072347063760515E+03 OK ( 0.28 sec) + driver-restart.inp 0.1076965059321605E+03 OK ( 0.59 sec) + driver-stride.inp 0.1072343388958498E+03 OK ( 0.19 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/optimize_input/regtest-1 (41 of 47) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/SWARM/regtest-glbopt-1 (42 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/SWARM/regtest-glbopt-1 + LJ10_minhop_1.inp -0.26595092E-01 OK ( 0.25 sec) + LJ10_minhop_2.inp -0.28422123E-01 OK ( 0.16 sec) + LJ10_mincrawl_1.inp -0.28422224E-01 OK ( 0.84 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/SWARM/regtest-glbopt-1 (42 of 47) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-linearscaling (43 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-linearscaling + test-shrt.inp - OK ( 0.50 sec) + w3-filter.inp -51.14051793253206 OK ( 0.76 sec) + w3-filter-2.inp -78.30555080313512 OK ( 0.34 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-linearscaling (43 of 47) done in 4.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/FE/regtest-2 (44 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/FE/regtest-2 + Solv_alch_chng.inp -0.732003926645E+01 OK ( 4.00 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/FE/regtest-2 (44 of 47) done in 6.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/QS/regtest-lrigpw (45 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/QS/regtest-lrigpw + C11H24-qmmm-gauss-0-lrigpw.inp -28.00745026097491 OK ( 1.01 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QMMM/QS/regtest-lrigpw (45 of 47) done in 3.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-fftw (46 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-fftw + H2-big-1.inp -28.149134408985866 OK ( 0.67 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-fftw (46 of 47) done in 2.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-elpa (47 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-elpa + H2O-6.inp -17.14603641519600 OK ( 0.28 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/tests/QS/regtest-elpa (47 of 47) done in 2.00 sec -------------------------------------------------------------------------- -------------------------------------------------------------------------- - regtesting location summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/summary.txt - regtesting location error_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/error_summary - regtesting location memory_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29/memory_summary - regtesting location output dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-09-11_00-14-29 + regtesting location summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/summary.txt + regtesting location error_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/error_summary + regtesting location memory_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20/memory_summary + regtesting location output dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-10-15_07-44-20 regtesting location last dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//LAST-Linux-x86_64-gfortran-psmp --------------------------------- Timings -------------------------------- @@ -68419,22 +68463,22 @@ Total number of tests 404 GREPME 0 0 404 0 404 X -Summary: correct: 404 / 404; 23min +Summary: correct: 404 / 404; 28min Status: OK -------------------------------------------------------------------------- -Regtest took 1397.00 seconds. +Regtest took 1691.00 seconds. -------------------------------------------------------------------------- -Thu Sep 11 00:37:45 -12 2025 +Thu Oct 15 08:12:30 +14 2026 *************************** testing ended ******************************** make[1]: Leaving directory '/build/reproducible-path/cp2k-2025.1' create-stamp debian/debhelper-build-stamp dh_prep dh_installdirs dh_auto_install - make -j40 install DESTDIR=/build/reproducible-path/cp2k-2025.1/debian/tmp AM_UPDATE_INFO_DIR=no + make -j42 install DESTDIR=/build/reproducible-path/cp2k-2025.1/debian/tmp AM_UPDATE_INFO_DIR=no make[1]: Entering directory '/build/reproducible-path/cp2k-2025.1' -make[1]: warning: -j40 forced in submake: resetting jobserver mode. +make[1]: warning: -j42 forced in submake: resetting jobserver mode. Discovering programs ... Makefile:295: update target 'install' due to: target is .PHONY echo "" @@ -68462,9 +68506,9 @@ dpkg-gencontrol: warning: Depends field of package cp2k-data: substitution variable ${shlibs:Depends} used, but is not defined dh_md5sums dh_builddeb -dpkg-deb: building package 'cp2k' in '../cp2k_2025.1-1.1_amd64.deb'. dpkg-deb: building package 'cp2k-dbgsym' in '../cp2k-dbgsym_2025.1-1.1_amd64.deb'. dpkg-deb: building package 'cp2k-data' in '../cp2k-data_2025.1-1.1_all.deb'. +dpkg-deb: building package 'cp2k' in '../cp2k_2025.1-1.1_amd64.deb'. dpkg-genbuildinfo --build=binary -O../cp2k_2025.1-1.1_amd64.buildinfo dpkg-genchanges --build=binary -O../cp2k_2025.1-1.1_amd64.changes dpkg-genchanges: info: binary-only upload (no source code included) @@ -68472,12 +68516,14 @@ dpkg-buildpackage: info: binary-only upload (no source included) dpkg-genchanges: info: not including original source code in upload I: copying local configuration +I: user script /srv/workspace/pbuilder/2686405/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/2686405/tmp/hooks/B01_cleanup finished I: unmounting dev/ptmx filesystem I: unmounting dev/pts filesystem I: unmounting dev/shm filesystem I: unmounting proc filesystem I: unmounting sys filesystem I: cleaning the build env -I: removing directory /srv/workspace/pbuilder/1810612 and its subdirectories -I: Current time: Thu Sep 11 00:39:10 -12 2025 -I: pbuilder-time-stamp: 1757594350 +I: removing directory /srv/workspace/pbuilder/2686405 and its subdirectories +I: Current time: Thu Oct 15 08:14:10 +14 2026 +I: pbuilder-time-stamp: 1792001650