Diff of the two buildlogs: -- --- b1/build.log 2025-04-12 16:20:21.176127483 +0000 +++ b2/build.log 2025-04-12 18:23:33.308573838 +0000 @@ -1,6 +1,6 @@ I: pbuilder: network access will be disabled during build -I: Current time: Fri May 15 10:01:31 -12 2026 -I: pbuilder-time-stamp: 1778882491 +I: Current time: Sun Apr 13 06:20:25 +14 2025 +I: pbuilder-time-stamp: 1744474825 I: Building the build Environment I: extracting base tarball [/var/cache/pbuilder/unstable-reproducible-base.tgz] I: copying local configuration @@ -27,52 +27,84 @@ 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/264941/tmp/hooks/D02_print_environment starting +I: user script /srv/workspace/pbuilder/2357231/tmp/hooks/D01_modify_environment starting +debug: Running on ionos11-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 Apr 12 16:20 /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/2357231/tmp/hooks/D01_modify_environment finished +I: user script /srv/workspace/pbuilder/2357231/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=42 ' - DISTRIBUTION='unstable' - 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]="2" [2]="37" [3]="1" [4]="release" [5]="x86_64-pc-linux-gnu") + BASH_VERSION='5.2.37(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=40 ' + DIRSTACK=() + DISTRIBUTION=unstable + EUID=0 + FUNCNAME=([0]="Echo" [1]="main") + GROUPS=() + HOME=/root + HOSTNAME=i-capture-the-hostname + HOSTTYPE=x86_64 + HOST_ARCH=amd64 IFS=' ' - INVOCATION_ID='5bd213c803604de6be9a2d63645dcc37' - 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='264941' - PS1='# ' - PS2='> ' + INVOCATION_ID=445f9bdabcf244a9a4e19ff5e91df21c + 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=2357231 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.jMD3eO9N/pbuilderrc_0lnc --distribution unstable --hookdir /etc/pbuilder/first-build-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.jMD3eO9N/b1 --logfile b1/build.log cp2k_2025.1-1.1.dsc' - SUDO_GID='111' - SUDO_UID='106' - SUDO_USER='jenkins' - TERM='unknown' - TZ='/usr/share/zoneinfo/Etc/GMT+12' - USER='root' - _='/usr/bin/systemd-run' - http_proxy='http://213.165.73.152:3128' + 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.jMD3eO9N/pbuilderrc_auvt --distribution unstable --hookdir /etc/pbuilder/rebuild-hooks --debbuildopts -b --basetgz /var/cache/pbuilder/unstable-reproducible-base.tgz --buildresult /srv/reproducible-results/rbuild-debian/r-b-build.jMD3eO9N/b2 --logfile b2/build.log cp2k_2025.1-1.1.dsc' + SUDO_GID=111 + SUDO_UID=106 + SUDO_USER=jenkins + TERM=unknown + TZ=/usr/share/zoneinfo/Etc/GMT-14 + UID=0 + USER=root + _='I: set' + http_proxy=http://46.16.76.132:3128 I: uname -a - Linux ionos15-amd64 6.12.12+bpo-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.12.12-1~bpo12+1 (2025-02-23) x86_64 GNU/Linux + Linux i-capture-the-hostname 6.1.0-32-amd64 #1 SMP PREEMPT_DYNAMIC Debian 6.1.129-1 (2025-03-06) x86_64 GNU/Linux I: ls -l /bin - lrwxrwxrwx 1 root root 7 Mar 4 2025 /bin -> usr/bin -I: user script /srv/workspace/pbuilder/264941/tmp/hooks/D02_print_environment finished + lrwxrwxrwx 1 root root 7 Mar 4 11:20 /bin -> usr/bin +I: user script /srv/workspace/pbuilder/2357231/tmp/hooks/D02_print_environment finished -> Attempting to satisfy build-dependencies -> Creating pbuilder-satisfydepends-dummy package Package: pbuilder-satisfydepends-dummy @@ -363,7 +395,7 @@ Get: 207 http://deb.debian.org/debian unstable/main amd64 python3-sphinxcontrib.jquery all 4.1-5 [7348 B] Get: 208 http://deb.debian.org/debian unstable/main amd64 python3-sphinx-rtd-theme all 3.0.2+dfsg-2 [29.7 kB] Get: 209 http://deb.debian.org/debian unstable/main amd64 python3-sphinxcontrib-mermaid all 1.0.0-1 [4816 kB] -Fetched 243 MB in 11s (21.3 MB/s) +Fetched 243 MB in 29s (8433 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 ... 19840 files and directories currently installed.) @@ -1039,8 +1071,8 @@ Setting up tzdata (2025b-2) ... Current default time zone: 'Etc/UTC' -Local time is now: Fri May 15 22:02:53 UTC 2026. -Universal Time is now: Fri May 15 22:02:53 UTC 2026. +Local time is now: Sat Apr 12 16:24:24 UTC 2025. +Universal Time is now: Sat Apr 12 16:24:24 UTC 2025. Run 'dpkg-reconfigure tzdata' if you wish to change it. Setting up libdbcsr-dev (2.8.0-3) ... @@ -1409,7 +1441,11 @@ 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/2357231/tmp/hooks/A99_set_merged_usr starting +Not re-configuring usrmerge for unstable +I: user script /srv/workspace/pbuilder/2357231/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 @@ -1441,9 +1477,9 @@ rm -f arch/Linux-`uname -m`-gfortran.* rm -rf LAST* TEST* dh_auto_clean - make -j42 distclean + make -j40 distclean make[2]: Entering directory '/build/reproducible-path/cp2k-2025.1' -make[2]: warning: -j42 forced in submake: resetting jobserver mode. +make[2]: warning: -j40 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 @@ -1489,99 +1525,99 @@ /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_core_hamiltonian.F ./qs_gamma2kp.F ./qs_band_structure.F ./mp2_setup.F ./atom_types.F ./lri_environment_init.F ./atom_utils.F ./csvr_system_types.F ./lri_optimize_ri_basis.F ./qs_scf_lanczos.F ./energy_corrections.F ./shg_integrals_test.F ./fp_methods.F ./xas_tp_scf.F ./atom_sgp.F ./mixed_cdft_utils.F ./qs_efield_berry.F ./pao_param_exp.F ./qs_scf_post_gpw.F ./qs_dftb_matrices.F ./qs_tensors_types.F ./input_cp2k_se.F ./input_cp2k_external.F ./farming_methods.F ./input/cp_parser_status_types.F ./input/cp_parser_inpp_methods.F ./input/cp_parser_ilist_methods.F ./input/cp_parser_methods.F ./input/input_parsing.F ./input/input_enumeration_types.F ./input/cp_parser_ilist_types.F ./input/input_keyword_types.F ./input/input_val_types.F ./input/cp_parser_buffer_types.F ./input/cp_linked_list_input.F ./input/cp_parser_types.F ./input/cp_parser_inpp_types.F ./input/input_section_types.F ./input/cp_output_handling.F ./qs_chargemol.F ./efield_utils.F ./qs_scf_block_davidson.F ./atom_grb.F ./qs_linres_op.F ./manybody_tersoff.F ./rpa_gw.F ./mp2_ri_grad_util.F ./basis_set_output.F ./fist_energy_types.F ./input_cp2k_print_dft.F ./group_dist_types.F ./qs_nonscf.F ./mp2_gpw_method.F ./hfx_derivatives.F ./pw/pw_fpga.F ./pw/ps_implicit_methods.F ./pw/cp_linked_list_pw.F ./pw/realspace_grid_types.F ./pw/pw_spline_utils.F ./pw/ps_wavelet_fft3d.F ./pw/rs_methods.F ./pw/pw_grid_types.F ./pw/dirichlet_bc_types.F ./pw/ps_wavelet_kernel.F ./pw/realspace_grid_cube.F ./pw/dielectric_types.F ./pw/ps_implicit_types.F ./pw/pw_gpu.F ./pw/dirichlet_bc_methods.F ./pw/ps_wavelet_scaling_function.F ./pw/pw_poisson_types.F ./pw/ps_wavelet_util.F ./pw/dg_rho0_types.F ./pw/pw_poisson_methods.F ./pw/mt_util.F ./pw/fft/fftw3_lib.F ./pw/fft/fft_kinds.F ./pw/fft/fftsg_lib.F ./pw/fft/fft_plan.F ./pw/fft/fft_lib.F ./pw/fft/mltfftsg_tools.F ./pw/ps_wavelet_types.F ./pw/dct.F ./pw/lazy.F ./pw/pw_copy_all.F ./pw/dg_types.F ./pw/dielectric_methods.F ./pw/cube_utils.F ./pw/pw_pool_types.F ./pw/pw_grid_info.F ./pw/pw_grids.F ./pw/pw_methods.F ./pw/pw_types.F ./pw/fft_tools.F ./pw/ps_wavelet_base.F ./pw/dgs.F ./pw/ps_wavelet_methods.F ./topology_constraint_util.F ./qs_ks_utils.F ./negf_integr_simpson.F ./pao_param_gth.F ./qs_ks_types.F ./mp2.F ./hfx_load_balance_methods.F ./qs_tddfpt2_soc_types.F ./topology_xyz.F ./qs_cdft_types.F ./qs_tddfpt2_utils.F ./xtb_parameters.F ./negf_green_methods.F ./qs_scf_diagonalization.F ./manybody_eam.F ./qs_dftb_parameters.F ./qs_kernel_types.F ./gw_communication.F ./se_core_core.F ./pexsi_methods.F ./input_cp2k_mixed.F ./xtb_coulomb.F ./constraint_3x3.F ./qmmm_se_forces.F ./qmmm_se_energy.F ./xtb_types.F ./qs_linres_module.F ./bsse.F ./almo_scf_types.F ./cp_dbcsr_operations.F ./hfx_admm_utils.F ./qs_linres_polar_utils.F ./qs_subsys_methods.F ./qs_rho0_types.F ./pao_param_fock.F ./cp_subsys_methods.F ./surface_dipole.F ./paw_proj_set_types.F ./xtb_hab_force.F ./qs_force_types.F ./constraint_util.F ./force_fields_input.F ./core_ppl.F ./qs_gcp_types.F ./mp2_eri_gpw.F ./core_ppnl.F ./pao_ml_gaussprocess.F ./pao_ml_descriptor.F ./input_cp2k_projection_rtp.F ./ct_types.F ./qs_fb_atomic_matrix_methods.F ./fist_neighbor_list_control.F ./mao_methods.F ./force_env_methods.F ./bse_properties.F ./almo_scf_diis_types.F ./outer_scf_control_types.F ./dm_ls_scf_curvy.F ./optimize_input.F ./xas_env_types.F ./rt_propagation_types.F ./preconditioner_makes.F ./ewalds_multipole.F ./qs_linres_epr_nablavks.F ./xtb_matrices.F ./smeagol_emtoptions.F ./qs_mom_methods.F ./input_cp2k_scf.F ./semi_empirical_int_num.F ./rpa_communication.F ./dbx/cp_dbcsr_api.F ./qs_linres_methods.F ./qcschema.F ./swarm/swarm.F ./swarm/swarm_master.F ./swarm/swarm_input.F ./swarm/glbopt_worker.F ./swarm/glbopt_master.F ./swarm/swarm_mpi.F ./swarm/glbopt_mincrawl.F ./swarm/glbopt_minhop.F ./swarm/swarm_worker.F ./swarm/glbopt_input.F ./swarm/swarm_message.F ./swarm/glbopt_history.F ./qs_vcd_ao.F ./xtb_ehess_force.F ./qs_active_space_utils.F ./cp2k_debug.F ./qs_dispersion_d3.F ./force_env_utils.F ./input_cp2k_mm.F ./almo_scf_env_methods.F ./qs_loc_methods.F ./input_cp2k_exstate.F ./qs_mom_types.F ./qs_eht_guess.F ./fist_efield_methods.F ./qmmm_force.F ./qs_basis_rotation_methods.F ./hirshfeld_methods.F ./qs_rho_atom_methods.F ./qs_cdft_scf_utils.F ./hfx_communication.F ./qs_density_mixing_types.F ./cp_realspace_grid_init.F ./ex_property_calculation.F ./qs_linres_nmr_epr_common_utils.F ./qs_nonscf_utils.F ./topology_amber.F ./mol_force.F ./fist_neighbor_lists.F ./ewalds.F ./qs_neighbor_lists.F ./qmmm_types_low.F ./mpiwrap/mp_perf_test.F ./mpiwrap/mp_perf_env.F ./mpiwrap/message_passing.F ./pao_param_methods.F ./optimize_embedding_potential.F ./mp2_cphf.F ./topology_xtl.F ./sockets_interface.F ./mp2_direct_method.F ./qs_localization_methods.F ./negf_env_types.F ./qs_neighbor_list_types.F ./embed_types.F ./input_cp2k_free_energy.F ./fist_pol_scf.F ./qs_fb_matrix_data_types.F ./atomic_charges.F ./qs_oce_methods.F ./qs_2nd_kernel_ao.F ./hartree_local_types.F ./qs_energy_window.F ./qs_loc_states.F ./qs_fb_input.F ./qmmm_per_elpot.F ./input_cp2k_as.F ./mdctrl_types.F ./qs_period_efield_types.F ./farming_types.F ./kpoint_io.F ./qmmmx_types.F ./qs_fb_env_methods.F ./qs_cdft_methods.F ./xas_control.F ./qmmm_pw_grid.F ./kg_correction.F ./qs_sccs.F ./atom_admm_methods.F ./qs_cdft_utils.F ./replica_methods.F ./qs_dispersion_d4.F ./pao_ml.F ./input_cp2k_field.F ./xas_tdp_methods.F ./mp2_eri.F ./constraint_clv.F ./admm_dm_types.F ./input_cp2k_kpoints.F ./qs_fb_filter_matrix_methods.F ./cp_ddapc_util.F ./topology_coordinate_util.F ./pao_potentials.F ./rtp_admm_methods.F ./qs_energy_utils.F ./optimize_basis_utils.F ./qs_tddfpt2_operators.F ./nnp_environment_types.F ./graphcon.F ./maxwell_solver_interface.F ./input_cp2k_harris.F ./rpa_gw_kpoints_util.F ./qs_mo_io.F ./xas_tdp_correction.F ./population_analyses.F ./qmmm_ff_fist.F ./manybody_potential.F ./minbas_wfn_analysis.F ./negf_integr_cc.F ./free_energy_types.F ./ewald_pw_types.F ./qs_linres_atom_current.F ./qs_scf_initialization.F ./input_cp2k_loc.F ./xas_tdp_kernel.F ./hfx_pw_methods.F ./rpa_sigma_functional.F ./ipi_environment_types.F ./qs_tddfpt_eigensolver.F ./qs_tddfpt2_fprint.F ./ls_matrix_exp.F ./qs_integrate_potential.F ./qs_overlap.F ./negf_subgroup_types.F ./splines_types.F ./rt_propagation_velocity_gauge.F ./mulliken.F ./beta_gamma_psi.F ./rpa_gw_ic.F ./libgrpp_integrals.F ./qs_ks_atom.F ./mp2_ri_grad.F ./qs_kind_types.F ./nequip_unittest.F ./qs_gcp_method.F ./iterate_matrix.F ./hartree_local_methods.F ./sirius_interface.F ./eeq_input.F ./minimax/minimax_exp_k53.F ./minimax/minimax_rpa.F ./minimax/minimax_exp.F ./minimax/minimax_exp_gw.F ./minimax/minimax_exp_k15.F ./qs_ot.F ./colvar_utils.F ./xc/xc_thomas_fermi.F ./xc/xc_xbecke88.F ./xc/xc_tpss.F ./xc/xc_xlda_hole_t_c_lr.F ./xc/xc_xbecke_roussel.F ./xc/xc.F ./xc/xc_input_constants.F ./xc/xc_exchange_gga.F ./xc/xc_xwpbe.F ./xc/xc_xalpha.F ./xc/xc_atom.F ./xc/xc_derivatives.F ./xc/xc_functionals_utilities.F ./xc/xc_ke_gga.F ./xc/xc_lyp.F ./xc/xc_derivative_desc.F ./xc/xc_rho_set_types.F ./xc/xc_xbeef.F ./xc/xc_perdew_wang.F ./xc/xc_fxc_kernel.F ./xc/xc_tfw.F ./xc/xc_perdew86.F ./xc/xc_derivative_set_types.F ./xc/xc_rho_cflags_types.F ./xc/xc_xbecke88_lr_adiabatic.F ./xc/xc_xpbe_hole_t_c_lr.F ./xc/xc_pbe.F ./xc/xc_lyp_adiabatic.F ./xc/xc_util.F ./xc/xc_cs1.F ./xc/cp_linked_list_xc_deriv.F ./xc/xc_derivative_types.F ./xc/xc_xbr_pbe_lda_hole_t_c_lr.F ./xc/xc_optx.F ./xc/xc_b97_fxc.F ./xc/xc_perdew_zunger.F ./xc/xc_vwn.F ./xc/xc_hcth.F ./xc/xc_b97.F ./xc/xc_libxc.F ./xc/xc_pade.F ./xc/xc_xbecke88_long_range.F ./xc/xc_libxc_wrap.F ./atom_output.F ./rpa_im_time_force_types.F ./input_cp2k_negf.F ./topology_connectivity_util.F ./eip_silicon.F ./hfx_energy_potential.F ./mixed_environment_types.F ./dm_ls_scf_types.F ./constraint_fxd.F ./excited_states.F ./qs_energy.F ./rpa_exchange.F ./qs_gcp_utils.F ./qs_dispersion_cnum.F ./qs_tddfpt2_subgroups.F ./ct_methods.F ./uff_vdw_radii_table.F ./transport_env_types.F ./post_scf_bandstructure_methods.F ./force_fields_util.F ./pao_methods.F ./qs_local_properties.F ./embed_main.F ./input_cp2k_transport.F ./qs_subsys_types.F ./libint_wrapper.F ./qs_scf_loop_utils.F ./se_fock_matrix_dbg.F ./fp_types.F ./motion_utils.F ./qs_basis_gradient.F ./se_fock_matrix_integrals.F ./distribution_methods.F ./qs_tddfpt2_restart.F ./qs_linres_kernel.F ./input_cp2k_ec.F ./qs_dftb_types.F ./qs_integrate_potential_product.F ./lri_environment_methods.F ./metadynamics_types.F ./colvar_methods.F ./qs_update_s_mstruct.F ./pw_env_methods.F ./qmmm_gaussian_init.F ./smeagol_matrix_utils.F ./mao_wfn_analysis.F ./qs_environment.F ./xc_pot_saop.F ./iao_analysis.F ./ipi_server.F ./pao_ml_neuralnet.F ./atom.F ./hdf5_wrapper.F ./admm_utils.F ./motion/pint_transformations.F ./motion/shell_opt.F ./motion/pint_pile.F ./motion/thermostat/csvr_system_mapping.F ./motion/thermostat/thermostat_mapping.F ./motion/thermostat/barostat_utils.F ./motion/thermostat/extended_system_mapping.F ./motion/thermostat/thermostat_methods.F ./motion/thermostat/gle_system_dynamics.F ./motion/thermostat/extended_system_init.F ./motion/thermostat/al_system_mapping.F ./motion/thermostat/al_system_init.F ./motion/thermostat/csvr_system_init.F ./motion/thermostat/thermostat_utils.F ./motion/thermostat/thermostat_types.F ./motion/thermostat/barostat_types.F ./motion/thermostat/input_cp2k_barostats.F ./motion/thermostat/extended_system_dynamics.F ./motion/thermostat/csvr_system_dynamics.F ./motion/thermostat/al_system_dynamics.F ./motion/md_conserved_quantities.F ./motion/md_environment_types.F ./motion/neb_md_utils.F ./motion/geo_opt.F ./motion/helium_interactions.F ./motion/dumpdcd.F ./motion/thermal_region_types.F ./motion/neb_opt_utils.F ./motion/gopt_param_types.F ./motion/pint_staging.F ./motion/md_run.F ./motion/cg_utils.F ./motion/mc/mc_coordinates.F ./motion/mc/mc_moves.F ./motion/mc/mc_control.F ./motion/mc/mc_ge_moves.F ./motion/mc/mc_misc.F ./motion/mc/mc_run.F ./motion/mc/mc_types.F ./motion/mc/mc_move_control.F ./motion/mc/mc_environment_types.F ./motion/mc/mc_ensembles.F ./motion/mc/tamc_run.F ./motion/input_cp2k_md.F ./motion/vibrational_analysis.F ./motion/md_energies.F ./motion/helium_io.F ./motion/md_util.F ./motion/xyz2dcd.F ./motion/input_cp2k_vib.F ./motion/cp_lbfgs.F ./motion/dimer_utils.F ./motion/pint_io.F ./motion/pint_methods.F ./motion/thermal_region_utils.F ./motion/mdctrl_methods.F ./motion/neb_types.F ./motion/cell_opt_types.F ./motion/cell_opt_utils.F ./motion/pint_qtb.F ./motion/pint_piglet.F ./motion/simpar_methods.F ./motion/input_cp2k_restarts.F ./motion/helium_sampling.F ./motion/gopt_f_types.F ./motion/pint_public.F ./motion/integrator.F ./motion/gopt_f77_methods.F ./motion/pint_normalmode.F ./motion/cg_optimizer.F ./motion/cell_opt.F ./motion/velocity_verlet_control.F ./motion/cp_lbfgs_geo.F ./motion/helium_nnp.F ./motion/pint_gle.F ./motion/rt_propagation.F ./motion/free_energy_methods.F ./motion/space_groups.F ./motion/dimer_types.F ./motion/reftraj_util.F ./motion/neb_utils.F ./motion/gopt_f_methods.F ./motion/dimer_methods.F ./motion/md_ener_types.F ./motion/helium_methods.F ./motion/glbopt_callback.F ./motion/reftraj_types.F ./motion/averages_types.F ./motion/helium_worm.F ./motion/helium_types.F ./motion/helium_common.F ./motion/integrator_utils.F ./motion/wiener_process.F ./motion/md_vel_utils.F ./motion/cp_lbfgs_optimizer_gopt.F ./motion/neb_io.F ./motion/space_groups_types.F ./motion/pint_types.F ./motion/neb_methods.F ./motion/bfgs_optimizer.F ./metadynamics_utils.F ./topology_input.F ./hfx_types.F ./xtb_eeq.F ./semi_empirical_utils.F ./bse_util.F ./pexsi_interface.F ./kg_environment.F ./pw_env/cp_spline_utils.F ./pw_env/rs_pw_interface.F ./pw_env/gaussian_gridlevels.F ./pw_env/pw_env_types.F ./hirshfeld_types.F ./atom_upf.F ./et_coupling_proj.F ./qs_electric_field_gradient.F ./ec_env_types.F ./force_field_types.F ./commutator_rpnl.F ./qs_gapw_densities.F ./exstates_types.F ./cp_ddapc.F ./hfx_exx.F ./input_cp2k_pwdft.F ./min_basis_set.F ./input_optimize_basis.F ./qmmm_gaussian_data.F ./restraint.F ./mp2_integrals.F ./common/whittaker.F ./common/d3_poly.F ./common/cp_result_types.F ./common/physcon.F ./common/callgraph.F ./common/mathconstants.F ./common/eigenvalueproblems.F ./common/cg_test.F ./common/distribution_1d_types.F ./common/reference_manager.F ./common/bessel_lib.F ./common/list_callstackentry.F ./common/splines.F ./common/list_routinereport.F ./common/cp_units.F ./common/print_messages.F ./common/memory_utilities_unittest.F ./common/cp_array_sort.F ./common/lebedev.F ./common/structure_factors.F ./common/list_timerenv.F ./common/cp_files.F ./common/timings.F ./common/cp_result_methods.F ./common/timings_types.F ./common/timings_report.F ./common/util.F ./common/lapack.F ./common/kahan_sum.F ./common/memory_utilities.F ./common/routine_map.F ./common/string_utilities.F ./common/cp_log_handling.F ./common/gamma.F ./common/spherical_harmonics.F ./common/structure_factor_types.F ./common/powell.F ./common/timings_base_type.F ./common/t_sh_p_s_c.F ./common/cp_min_heap.F ./common/list.F ./common/linear_systems.F ./common/parallel_rng_types_unittest.F ./common/t_c_g0.F ./common/list_routinestat.F ./common/cp_iter_types.F ./common/mathlib.F ./common/parallel_rng_types.F ./common/string_table.F ./common/bibliography.F ./common/cp_array_utils.F ./common/fparser.F ./common/cp_error_handling.F ./common/periodic_table.F ./dm_ls_scf_create.F ./qs_tddfpt2_stda_types.F ./hfx_ri_kp.F ./mixed_main.F ./input_cp2k_global.F ./spglib_f08.F ./transport.F ./lri_compression.F ./xas_tdp_atom.F ./torch_api.F ./atoms_input.F ./qs_tddfpt2_methods.F ./atom_basis.F ./dm_ls_scf.F ./pao_model.F ./cp_dbcsr_diag.F ./negf_vectors.F ./simpar_types.F ./semi_empirical_mpole_types.F ./mm_collocate_potential.F ./negf_control_types.F ./input_cp2k_subsys.F ./dgemm_counter_types.F ./minbas_methods.F ./offload/offload_api.F ./qs_tensors.F ./qs_linres_nmr_shift.F ./optbas_fenv_manipulation.F ./et_coupling.F ./cp_dbcsr_output.F ./auto_basis.F ./pair_potential_util.F ./qs_mo_types.F ./qs_scf_post_tb.F ./qs_ks_reference.F ./fist_main.F ./optbas_opt_utils.F ./mscfg_types.F ./xas_tdp_integrals.F ./qs_initial_guess.F ./global_types.F ./qmmm_gpw_energy.F ./negf_green_cache.F ./rpa_im_time_force_methods.F ./mixed_environment.F ./qs_efield_local.F ./kg_environment_types.F ./rmsd.F ./qmmm_image_charge.F ./ec_orth_solver.F ./rpa_im_time.F ./input_restart_rng.F ./cp_dbcsr_cp2k_link.F ./matrix_exp.F ./pao_linpot_rotinv.F ./rpa_gw_im_time_util.F ./qs_linres_current_utils.F ./mao_optimizer.F ./input_cp2k_opt.F ./pao_param_equi.F ./dm_ls_chebyshev.F ./input_cp2k_almo.F ./semi_empirical_integrals.F ./qs_grid_atom.F ./qs_nl_hash_table_types.F ./qs_dcdr.F ./qs_wf_history_methods.F ./cp_control_types.F ./qs_scf_post_scf.F ./dbcsrx/dbcsr_vector.F ./qs_rho_atom_types.F ./qs_dispersion_utils.F ./domain_submatrix_methods.F ./dbm/dbm_api.F ./dbm/dbm_tests.F ./qs_dcdr_utils.F ./manybody_allegro.F ./mp2_gpw.F ./rpa_rse.F ./se_fock_matrix_coulomb.F ./qs_operators_ao.F ./gw_utils.F ./qs_scf_post_se.F ./atom_energy.F ./smeagol_interface.F ./qs_active_space_types.F ./xas_tdp_utils.F ./qs_oce_types.F ./pw_poisson_read_input.F ./negf_integr_utils.F ./mixed_cdft_types.F ./metadyn_tools/graph_utils.F ./metadyn_tools/graph.F ./metadyn_tools/graph_methods.F ./base/kinds.F ./base/machine.F ./base/base_hooks.F ./kg_vertex_coloring_methods.F ./qs_dispersion_pairpot.F ./mp2_laplace.F ./fist_environment_types.F ./gw_large_cell_gamma.F ./se_core_matrix.F ./atom_operators.F ./qs_rho_types.F ./xas_restart.F ./moments_utils.F ./manybody_gal21.F ./trexio_utils.F ./semi_empirical_int3_utils.F ./pao_linpot_full.F ./almo_scf_methods.F ./hfx_compression_methods.F ./qmmm_gpw_forces.F ./input_cp2k_eip.F ./qmmm_init.F ./qs_wannier90.F ./header.F ./pme.F ./qs_local_rho_types.F ./pao_param.F ./subsys/force_field_kind_types.F ./subsys/shell_potential_types.F ./subsys/molecule_kind_list_types.F ./subsys/atprop_types.F ./subsys/particle_list_types.F ./subsys/atomic_kind_types.F ./subsys/atomic_kind_list_types.F ./subsys/molecule_types.F ./subsys/external_potential_types.F ./subsys/molecule_list_types.F ./subsys/damping_dipole_types.F ./subsys/cell_types.F ./subsys/multipole_types.F ./subsys/cp_subsys_types.F ./subsys/particle_types.F ./subsys/molecule_kind_types.F ./subsys/colvar_types.F ./subsys/virial_types.F ./replica_types.F ./localization_tb.F ./mp2_optimize_ri_basis.F ./topology_cif.F ./qmmm_util.F ./rpa_gw_sigma_x.F ./mp2_ri_2c.F ./input_cp2k_read.F ./qs_kinetic.F ./constraint.F ./trexio.F ./input_optimize_input.F ./ec_methods.F ./qs_integral_utils.F ./input_cp2k_poisson.F ./cp_external_control.F ./xray_diffraction.F ./qs_vcd_utils.F ./stm_images.F ./atom_fit.F ./library_tests.F ./input_cp2k_ls.F ./input_cp2k_thermostats.F ./dm_ls_scf_qs.F ./mixed_energy_types.F ./qs_ks_qmmm_methods.F ./mm_mapping_library.F ./kpoint_types.F ./commutator_rkinetic.F ./lri_ks_methods.F ./cryssym.F ./semi_empirical_types.F ./qs_dftb_dispersion.F ./topology_gromos.F ./bse_iterative.F ./fermi_utils.F ./qs_fermi_contact.F ./hfx_ri.F ./qs_kernel_methods.F ./qs_tddfpt2_lri_utils.F ./topology_psf.F ./grid/grid_api.F ./qs_loc_types.F ./qs_charges_types.F ./input_cp2k_check.F ./qs_o3c_types.F ./semi_empirical_int_arrays.F ./kpoint_methods.F ./ewald_spline_util.F ./qs_fb_hash_table_types.F ./splines_methods.F ./qs_outer_scf.F ./qs_dispersion_d2.F ./ec_environment.F ./topology_types.F ./eip_environment.F ./s_square_methods.F ./atom_kind_orbitals.F ./qs_ks_apply_restraints.F ./qs_tddfpt2_densities.F ./semi_empirical_expns3_types.F ./qs_resp.F ./qs_tddfpt2_forces.F ./qs_tddfpt2_properties.F ./emd/rt_make_propagators.F ./emd/rt_delta_pulse.F ./emd/rt_hfx_utils.F ./emd/rt_bse.F ./emd/rt_propagation_output.F ./emd/rt_bse_types.F ./emd/rt_propagation_methods.F ./emd/rt_propagation_utils.F ./emd/rt_propagator_init.F ./emd/rt_projection_mo_utils.F ./emd/rt_bse_io.F ./pao_optimizer.F ./se_fock_matrix.F ./pao_main.F ./xas_tdp_types.F ./sap_kind_types.F ./virial_methods.F ./tip_scan_types.F ./qs_tddfpt2_soc.F ./qmmmx_create.F ./qs_collocate_density.F ./cp_dbcsr_cholesky.F ./manybody_quip.F ./se_fock_matrix_exchange.F ./qs_elf_methods.F ./spme.F ./qs_external_density.F ./post_scf_bandstructure_utils.F ./qs_scf_wfn_mix.F ./semi_empirical_int_ana.F ./mode_selective.F ./almo_scf_qs.F ./eri_mme/eri_mme_util.F ./eri_mme/eri_mme_error_control.F ./eri_mme/eri_mme_test.F ./eri_mme/eri_mme_types.F ./eri_mme/eri_mme_lattice_summation.F ./eri_mme/eri_mme_gaussian.F ./eri_mme/eri_mme_integrate.F ./input_restart_force_eval.F ./xtb_potentials.F ./extended_system_types.F ./topology_multiple_unit_cell.F ./input_cp2k_neb.F ./semi_empirical_int_debug.F ./qs_environment_types.F ./generic_os_integrals.F ./qmmm_topology_util.F ./input_cp2k_atom.F ./topology.F ./pwdft_environment_types.F ./distribution_2d_types.F ./topology_cp2k.F ./post_scf_bandstructure_types.F ./xc_adiabatic_methods.F ./input_cp2k_voronoi.F ./lri_forces.F ./fist_neighbor_list_types.F ./optimize_basis_types.F ./qs_linres_epr_ownutils.F ./hfx_pair_list_methods.F ./pao_input.F ./semi_empirical_expns3_methods.F ./mscfg_methods.F ./integration_grid_types.F ./taper_types.F ./admm_types.F ./qs_ot_scf.F ./qs_block_davidson_types.F ./mixed_environment_utils.F ./fist_nonbond_force.F ./force_fields.F ./qs_commutators.F ./exclusion_types.F ./fist_environment.F ./semi_empirical_int_utils.F ./qs_tddfpt_utils.F ./input_cp2k_nnp.F ./qs_tddfpt2_types.F ./nnp_acsf.F ./mixed_cdft_methods.F ./pair_potential.F ./qs_energy_init.F ./dbt/dbt_methods.F ./dbt/dbt_types.F ./dbt/dbt_index.F ./dbt/dbt_allocate_wrap.F ./dbt/dbt_reshape_ops.F ./dbt/dbt_array_list_methods.F ./dbt/dbt_unittest.F ./dbt/dbt_api.F ./dbt/tas/dbt_tas_global.F ./dbt/tas/dbt_tas_mm.F ./dbt/tas/dbt_tas_types.F ./dbt/tas/dbt_tas_unittest.F ./dbt/tas/dbt_tas_reshape_ops.F ./dbt/tas/dbt_tas_io.F ./dbt/tas/dbt_tas_util.F ./dbt/tas/dbt_tas_base.F ./dbt/tas/dbt_tas_test.F ./dbt/tas/dbt_tas_split.F ./dbt/dbt_test.F ./dbt/dbt_io.F ./dbt/dbt_block.F ./dbt/dbt_split.F ./qmmm_gaussian_types.F ./molecular_dipoles.F ./qs_cdft_opt_types.F ./aobasis/ai_contraction.F ./aobasis/ai_oneelectron.F ./aobasis/paw_basis_types.F ./aobasis/basis_set_container_types.F ./aobasis/soft_basis_set.F ./aobasis/orbital_transformation_matrices.F ./aobasis/aux_basis_set.F ./aobasis/ai_overlap_debug.F ./aobasis/ai_spin_orbit.F ./aobasis/ai_onecenter.F ./aobasis/ai_coulomb_test.F ./aobasis/ai_elec_field.F ./aobasis/ai_verfc.F ./aobasis/ao_util.F ./aobasis/basis_set_types.F ./aobasis/ai_coulomb.F ./aobasis/orbital_symbols.F ./aobasis/ai_overlap3.F ./aobasis/ai_derivatives.F ./aobasis/sto_ng.F ./aobasis/ai_fermi_contact.F ./aobasis/orbital_pointers.F ./aobasis/ai_os_rr.F ./aobasis/ai_kinetic.F ./aobasis/ai_overlap.F ./aobasis/ai_overlap_aabb.F ./aobasis/ai_overlap_ppl.F ./aobasis/ai_operator_ra2m.F ./aobasis/ai_angmom.F ./aobasis/ai_eri_debug.F ./aobasis/ai_overlap3_debug.F ./aobasis/ai_moments.F ./aobasis/ai_operators_r12.F ./aobasis/ai_contraction_sphi.F ./block_p_types.F ./manybody_siepmann.F ./qs_harmonics_atom.F ./hfx_screening_methods.F ./qs_scf_output.F ./kpoint_coulomb_2c.F ./qs_loc_molecules.F ./submatrix_dissection.F ./eip_environment_types.F ./atom_optimization.F ./mp2_types.F ./debug_os_integrals.F ./preconditioner_solvers.F ./optimize_basis.F ./mao_types.F ./wannier90.F ./input_cp2k_smeagol.F ./manybody_gal.F ./input_constants.F ./qs_active_space_methods.F ./qs_spin_orbit.F ./qs_interactions.F ./rpa_grad.F ./rpa_util.F ./atom_xc.F ./cp_realspace_grid_cube.F ./eeq_data.F ./subcell_types.F ./pwdft_environment.F ./qs_o3c_methods.F ./smeagol_control_types.F ./qs_fb_com_tasks_types.F ./qs_vcd.F ./input_cp2k_properties_dft.F ./ec_external.F ./atom_pseudo.F ./negf_alloc_types.F ./cp_symmetry.F ./xc_adiabatic_utils.F ./lri_optimize_ri_basis_types.F ./qs_vxc.F ./semi_empirical_parameters.F ./constraint_vsite.F ./wannier_states_types.F ./input_cp2k_embed.F ./qmmmx_force.F ./manybody_nequip.F ./input_cp2k_distribution.F ./qs_rho0_methods.F ./input_cp2k_resp.F ./qs_tddfpt_types.F ./grrm_utils.F ./negf_matrix_utils.F ./qs_condnum.F ./arnoldi/arnoldi_geev.F ./arnoldi/arnoldi_types.F ./arnoldi/arnoldi_methods.F ./arnoldi/arnoldi_api.F ./arnoldi/arnoldi_data_methods.F ./qs_vxc_atom.F ./qs_density_matrices.F ./linesearch.F ./xtb_ks_matrix.F ./gw_main.F ./f77_interface.F ./mp2_grids.F ./pao_io.F ./kg_tnadd_mat.F ./qs_mfp.F ./qs_ot_types.F ./constraint_4x6.F ./external_potential_methods.F ./statistical_methods.F ./input_cp2k_xas.F ./fist_intra_force.F ./input_cp2k_colvar.F ./qs_dcdr_ao.F ./input_cp2k_atprop.F ./qs_linres_nmr_utils.F ./hfxbase/hfx_compression_core_methods.F ./hfxbase/hfx_contraction_methods.F ./hfxbase/hfx_contract_block.F ./input_cp2k_qmmm.F ./molecular_states.F ./atom_electronic_structure.F ./qs_environment_methods.F ./qs_gspace_mixing.F ./mp2_ri_libint.F ./qs_moments.F ./qs_diis_types.F ./nnp_model.F ./qs_dftb_coulomb.F ./al_system_types.F ./dkh_main.F ./qs_loc_dipole.F ./core_ae.F ./pilaenv_hack.F ./mao_basis.F ./xtb_ehess.F ./tmc/tmc_worker.F ./tmc/tmc_move_types.F ./tmc/tmc_tree_search.F ./tmc/tmc_setup.F ./tmc/tmc_tree_types.F ./tmc/tmc_analysis.F ./tmc/tmc_tree_build.F ./tmc/tmc_master.F ./tmc/tmc_utils.F ./tmc/input_cp2k_tmc.F ./tmc/tmc_calculations.F ./tmc/tmc_dot_tree.F ./tmc/tmc_tree_references.F ./tmc/tmc_analysis_types.F ./tmc/tmc_types.F ./tmc/tmc_cancelation.F ./tmc/tmc_messages.F ./tmc/tmc_stati.F ./tmc/tmc_file_io.F ./tmc/tmc_moves.F ./tmc/tmc_move_handle.F ./tmc/tmc_tree_acceptance.F ./qs_tddfpt2_assign.F ./admm_dm_methods.F ./qs_dftb_utils.F ./pao_types.F ./voronoi_interface.F ./qs_scf_csr_write.F ./input_cp2k_force_eval.F ./qs_diis.F ./qmmm_types.F ./shg_int/generic_shg_integrals.F ./shg_int/construct_shg.F ./shg_int/s_contract_shg.F ./shg_int/constants_operator.F ./shg_int/generic_shg_integrals_init.F ./qs_tddfpt2_smearing_methods.F ./input_cp2k_xc.F ./gle_system_types.F ./hfx_helpers.F ./semi_empirical_par_utils.F ./ed_analysis.F ./qs_fb_buffer_types.F ./input_cp2k_constraints.F ./qs_fb_env_types.F ./qs_linres_issc_utils.F ./task_list_types.F ./qs_ks_methods.F ./preconditioner_types.F ./particle_methods.F ./tip_scan_methods.F ./input_cp2k_binary_restarts.F ./qs_ks_qmmm_types.F ./qs_matrix_w.F ./qs_core_energies.F ./admm_methods.F ./preconditioner.F ./qs_fb_trial_fns_types.F ./et_coupling_types.F ./start/cp2k_shell.F ./start/libcp2k.F ./start/cp2k_runs.F ./start/input_cp2k_motion.F ./start/cp2k.F ./start/input_cp2k.F ./local_gemm_api.F ./qs_loc_main.F ./qs_dftb3_methods.F ./optimize_dmfet_potential.F ./force_fields_all.F ./qs_external_potential.F ./input_cp2k_restarts_util.F ./csvr_system_utils.F ./qmmmx_update.F ./cp_ddapc_methods.F ./cp_eri_mme_interface.F ./input_cp2k_motion_print.F ./qs_mo_methods.F ./rel_control_types.F ./qs_rho_methods.F ./qs_charge_mixing.F ./gw_small_cell_full_kp.F ./qmmm_tb_methods.F ./environment.F ./qmmm_tb_coulomb.F ./pair_potential_types.F ./negf_atom_map.F ./force_env_types.F ./topology_util.F ./qmmmx_util.F ./xc_write_output.F ./qs_dos.F ./qs_scf_methods.F ./qs_energy_types.F ./nnp_force.F ./rt_propagation_forces.F ./qs_dispersion_types.F ./atom_set_basis.F ./qs_tddfpt2_eigensolver.F ./xtb_hcore.F ./soc_pseudopotential_methods.F ./qs_tddfpt2_soc_utils.F ./qs_linres_current.F ./qs_tddfpt2_fhxc_forces.F ./bse_full_diag.F ./qs_kpp1_env_types.F ./qs_pdos.F ./qs_harris_types.F ./task_list_methods.F ./cp_control_utils.F ./gapw_1c_basis_set.F ./input_cp2k_qs.F ./ri_environment_methods.F ./molecular_moments.F ./semi_empirical_store_int_types.F ./qs_harris_utils.F ./deepmd_wrapper.F ./kpoint_transitional.F ./parallel_gemm_api.F ./lri_integrals.F ./pair_potential_coulomb.F ./qs_wf_history_types.F ./qs_epr_hyp.F ./input_cp2k_rsgrid.F ./qs_tddfpt2_stda_utils.F ./qmmm_gaussian_input.F ./qs_tddfpt2_fhxc.F ./submatrix_types.F ./molsym.F ./almo_scf_lbfgs_types.F ./ewald_environment_types.F ./qs_fxc.F ./qs_matrix_pools.F ./nnp_environment.F ./fist_force.F ./wannier_states.F ./force_fields_ext.F ./fist_nonbond_env_types.F ./libint_2c_3c.F ./qs_tddfpt_module.F ./qs_dispersion_nonloc.F ./efield_tb_methods.F ./qs_scf_types.F ./qs_fb_atomic_halo_types.F ./ewald_pw_methods.F ./almo_scf_optimizer.F ./response_solver.F ./qs_kpp1_env_methods.F ./cp2k_info.F ./negf_methods.F ./scf_control_types.F ./qs_scf.F ./gw_integrals.F ./qs_ot_eigensolver.F ./semi_empirical_int_gks.F ./qs_atomic_block.F ./input_cp2k_dft.F ./domain_submatrix_types.F ./gw_kp_to_real_space_and_back.F ./qs_fb_distribution_methods.F ./manybody_deepmd.F ./fist_efield_types.F ./input_cp2k_hfx.F ./qs_rho0_ggrid.F ./soc_pseudopotential_utils.F ./qmmm_links_methods.F ./xas_methods.F ./preconditioner_apply.F ./dm_ls_scf_methods.F ./iao_types.F ./hfx_libint_interface.F ./rpa_main.F ./ipi_driver.F ./qs_hash_table_functions.F ./qs_loc_utils.F ./ipi_environment.F ./pexsi_types.F ./qs_force.F ./scine_utils.F ./kpsym.F ./qs_p_env_methods.F ./lri_environment_types.F ./qs_linres_types.F ./input_cp2k_tb.F ./qs_p_env_types.F ./fm/cp_cfm_cholesky.F ./fm/cp_fm_diag_utils.F ./fm/cp_fm_diag.F ./fm/cp_cfm_diag.F ./fm/cp_fm_dlaf_api.F ./fm/cp_fm_cholesky.F ./fm/cp_cfm_types.F ./fm/cp_fm_types.F ./fm/cp_blacs_env.F ./fm/cp_dlaf_utils_api.F ./fm/cp_fm_basic_linalg.F ./fm/cp_linked_list_fm.F ./fm/cp_cfm_basic_linalg.F ./fm/cp_cfm_dlaf_api.F ./fm/cp_fm_pool_types.F ./fm/cp_fm_elpa.F ./fm/cp_fm_cusolver_api.F ./fm/cp_blacs_types.F ./fm/cp_fm_struct.F ./cp_ddapc_types.F ./eeq_method.F ./molden_utils.F ./qmmm_elpot.F ./qs_mixing_utils.F ./qs_integrate_potential_single.F ./qmmm_create.F ./bse_print.F ./input_cp2k_mp2.F ./topology_generate_util.F ./embed_environment.F ./semi_empirical_mpole_methods.F ./almo_scf.F ./pao_param_linpot.F ./qs_ot_minimizer.F ./pme_tools.F ./cp_ddapc_forces.F ./qs_mo_occupation.F ./mp2_ri_gpw.F ./qs_linres_epr_utils.F ./ewald_methods_tb.F ./topology_pdb.F ./metadynamics.F ./ec_efield_local.F ./qs_elec_field.F ./dft_plus_u.F ./cell_methods.F ./bse_main.F ./pw/gpu/pw_gpu_internal.c ./pw/fpga/fft_fpga.c ./pw/fpga/opencl_utils.c ./offload/offload_buffer.c ./offload/offload_library.c ./dbm/dbm_multiply_opencl.c ./dbm/dbm_library.c ./dbm/dbm_multiply_gpu.c ./dbm/dbm_multiply.c ./dbm/dbm_miniapp.c ./dbm/dbm_mpi.c ./dbm/dbm_distribution.c ./dbm/dbm_shard.c ./dbm/dbm_matrix.c ./dbm/dbm_mempool.c ./dbm/dbm_multiply_comm.c ./dbm/dbm_multiply_cpu.c ./base/openmp_trace.c ./base/machine_cpuid.c ./grid/cpu/grid_cpu_prepare_pab.c ./grid/cpu/grid_cpu_integrate.c ./grid/cpu/grid_cpu_collocate.c ./grid/cpu/grid_cpu_task_list.c ./grid/grid_task_list.c ./grid/common/grid_sphere_cache.c ./grid/common/grid_basis_set.c ./grid/common/grid_library.c ./grid/dgemm/grid_dgemm_coefficients.c ./grid/dgemm/grid_dgemm_context.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_integrate.c ./grid/dgemm/grid_dgemm_prepare_pab.c ./grid/dgemm/grid_dgemm_tensor_local.c ./grid/dgemm/grid_dgemm_utils.c ./grid/grid_miniapp.c ./grid/grid_replay.c ./grid/ref/grid_ref_collocate.c ./grid/ref/grid_ref_prepare_pab.c ./grid/ref/grid_ref_task_list.c ./grid/ref/grid_ref_integrate.c ./grid/grid_unittest.c ./start/libcp2k_unittest.c ./sockets.c ./fm/cp_fm_cusolver.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 ./input_cp2k_negf.F ./qs_harris_utils.F ./fermi_utils.F ./qmmm_ff_fist.F ./input_cp2k_mp2.F ./cp_ddapc_forces.F ./qs_ks_qmmm_methods.F ./constraint_4x6.F ./gw_utils.F ./bse_util.F ./xas_methods.F ./qs_matrix_pools.F ./f77_interface.F ./environment.F ./qs_rho_methods.F ./qs_moments.F ./se_fock_matrix_integrals.F ./admm_dm_methods.F ./min_basis_set.F ./qs_tddfpt2_fhxc_forces.F ./pao_potentials.F ./input_cp2k_restarts_util.F ./qs_dispersion_d3.F ./qs_overlap.F ./qs_kernel_methods.F ./almo_scf.F ./hfx_derivatives.F ./input_cp2k_smeagol.F ./population_analyses.F ./qs_ks_types.F ./trexio.F ./qs_tddfpt_module.F ./qs_fb_matrix_data_types.F ./hfx_pair_list_methods.F ./xtb_eeq.F ./input_cp2k_kpoints.F ./aobasis/ai_derivatives.F ./aobasis/orbital_symbols.F ./aobasis/basis_set_types.F ./aobasis/ai_moments.F ./aobasis/paw_basis_types.F ./aobasis/ai_verfc.F ./aobasis/orbital_pointers.F ./aobasis/ai_operators_r12.F ./aobasis/ai_onecenter.F ./aobasis/ai_angmom.F ./aobasis/ai_overlap3.F ./aobasis/ao_util.F ./aobasis/ai_eri_debug.F ./aobasis/ai_contraction_sphi.F ./aobasis/orbital_transformation_matrices.F ./aobasis/basis_set_container_types.F ./aobasis/ai_operator_ra2m.F ./aobasis/ai_elec_field.F ./aobasis/ai_spin_orbit.F ./aobasis/ai_coulomb_test.F ./aobasis/ai_os_rr.F ./aobasis/ai_contraction.F ./aobasis/ai_overlap.F ./aobasis/sto_ng.F ./aobasis/ai_overlap3_debug.F ./aobasis/ai_overlap_ppl.F ./aobasis/ai_kinetic.F ./aobasis/aux_basis_set.F ./aobasis/soft_basis_set.F ./aobasis/ai_overlap_aabb.F ./aobasis/ai_coulomb.F ./aobasis/ai_overlap_debug.F ./aobasis/ai_oneelectron.F ./aobasis/ai_fermi_contact.F ./particle_methods.F ./replica_types.F ./lri_optimize_ri_basis_types.F ./pao_input.F ./mp2_cphf.F ./base/base_hooks.F ./base/kinds.F ./base/machine.F ./mao_methods.F ./ed_analysis.F ./qs_tensors.F ./fist_intra_force.F ./input_cp2k_print_dft.F ./dbcsrx/dbcsr_vector.F ./transport.F ./tmc/tmc_tree_references.F ./tmc/tmc_stati.F ./tmc/tmc_tree_build.F ./tmc/tmc_tree_types.F ./tmc/tmc_move_types.F ./tmc/tmc_moves.F ./tmc/tmc_analysis_types.F ./tmc/tmc_tree_search.F ./tmc/tmc_file_io.F ./tmc/tmc_types.F ./tmc/tmc_calculations.F ./tmc/tmc_move_handle.F ./tmc/tmc_worker.F ./tmc/tmc_utils.F ./tmc/tmc_cancelation.F ./tmc/tmc_master.F ./tmc/tmc_analysis.F ./tmc/tmc_messages.F ./tmc/tmc_tree_acceptance.F ./tmc/tmc_setup.F ./tmc/tmc_dot_tree.F ./tmc/input_cp2k_tmc.F ./distribution_2d_types.F ./qs_kernel_types.F ./molsym.F ./qs_subsys_types.F ./qs_hash_table_functions.F ./mp2_ri_grad.F ./mp2_grids.F ./rpa_im_time_force_types.F ./qs_fb_distribution_methods.F ./dbt/dbt_io.F ./dbt/dbt_allocate_wrap.F ./dbt/dbt_types.F ./dbt/dbt_reshape_ops.F ./dbt/dbt_split.F ./dbt/dbt_array_list_methods.F ./dbt/tas/dbt_tas_base.F ./dbt/tas/dbt_tas_util.F ./dbt/tas/dbt_tas_reshape_ops.F ./dbt/tas/dbt_tas_io.F ./dbt/tas/dbt_tas_mm.F ./dbt/tas/dbt_tas_types.F ./dbt/tas/dbt_tas_global.F ./dbt/tas/dbt_tas_split.F ./dbt/tas/dbt_tas_test.F ./dbt/tas/dbt_tas_unittest.F ./dbt/dbt_unittest.F ./dbt/dbt_methods.F ./dbt/dbt_api.F ./dbt/dbt_block.F ./dbt/dbt_index.F ./dbt/dbt_test.F ./qs_scf_block_davidson.F ./paw_proj_set_types.F ./post_scf_bandstructure_types.F ./mp2_types.F ./force_env_types.F ./qs_fb_com_tasks_types.F ./virial_methods.F ./qs_ks_atom.F ./cp_dbcsr_cp2k_link.F ./fist_force.F ./semi_empirical_int_utils.F ./ls_matrix_exp.F ./qs_commutators.F ./gle_system_types.F ./et_coupling_proj.F ./spme.F ./grid/grid_api.F ./almo_scf_types.F ./qs_vcd_ao.F ./qs_dcdr.F ./negf_subgroup_types.F ./semi_empirical_expns3_methods.F ./preconditioner_solvers.F ./rt_propagation_velocity_gauge.F ./tip_scan_types.F ./cp_realspace_grid_init.F ./mp2_ri_gpw.F ./bse_full_diag.F ./topology_xtl.F ./qs_charge_mixing.F ./qs_mixing_utils.F ./qs_atomic_block.F ./atom_electronic_structure.F ./rpa_rse.F ./qs_loc_main.F ./qs_tddfpt_eigensolver.F ./qs_tddfpt2_restart.F ./input_cp2k_xc.F ./qs_loc_methods.F ./dm_ls_scf.F ./qs_fb_buffer_types.F ./mao_basis.F ./atom_optimization.F ./start/cp2k.F ./start/input_cp2k_motion.F ./start/cp2k_shell.F ./start/libcp2k.F ./start/cp2k_runs.F ./start/input_cp2k.F ./qs_loc_types.F ./restraint.F ./qmmm_topology_util.F ./pme_tools.F ./task_list_types.F ./manybody_quip.F ./qmmmx_update.F ./qs_tddfpt2_forces.F ./semi_empirical_utils.F ./force_fields_ext.F ./qs_scf_diagonalization.F ./force_fields_all.F ./block_p_types.F ./qs_tddfpt2_methods.F ./preconditioner_types.F ./qcschema.F ./input_cp2k_neb.F ./ct_methods.F ./input_cp2k_ec.F ./qs_loc_states.F ./iao_analysis.F ./taper_types.F ./qs_gcp_method.F ./qmmm_tb_coulomb.F ./shg_integrals_test.F ./qs_linres_types.F ./qs_density_mixing_types.F ./qs_mom_methods.F ./qs_ks_qmmm_types.F ./rpa_gw_im_time_util.F ./qs_linres_epr_ownutils.F ./pao_methods.F ./pao_ml_neuralnet.F ./rpa_grad.F ./manybody_gal21.F ./motion_utils.F ./qs_p_env_types.F ./mixed_environment_types.F ./qs_operators_ao.F ./embed_environment.F ./input_cp2k_check.F ./metadyn_tools/graph.F ./metadyn_tools/graph_methods.F ./metadyn_tools/graph_utils.F ./qs_rho_atom_types.F ./mpiwrap/mp_perf_test.F ./mpiwrap/mp_perf_env.F ./mpiwrap/message_passing.F ./wannier_states_types.F ./pw/dct.F ./pw/rs_methods.F ./pw/dielectric_types.F ./pw/ps_wavelet_methods.F ./pw/dirichlet_bc_types.F ./pw/pw_grid_info.F ./pw/ps_wavelet_kernel.F ./pw/dgs.F ./pw/dg_rho0_types.F ./pw/ps_wavelet_base.F ./pw/ps_wavelet_scaling_function.F ./pw/realspace_grid_types.F ./pw/dg_types.F ./pw/pw_spline_utils.F ./pw/dirichlet_bc_methods.F ./pw/ps_wavelet_fft3d.F ./pw/pw_gpu.F ./pw/pw_types.F ./pw/ps_wavelet_util.F ./pw/mt_util.F ./pw/pw_fpga.F ./pw/lazy.F ./pw/pw_poisson_methods.F ./pw/fft_tools.F ./pw/realspace_grid_cube.F ./pw/dielectric_methods.F ./pw/pw_grid_types.F ./pw/ps_implicit_types.F ./pw/pw_methods.F ./pw/pw_pool_types.F ./pw/fft/mltfftsg_tools.F ./pw/fft/fft_kinds.F ./pw/fft/fft_plan.F ./pw/fft/fftsg_lib.F ./pw/fft/fft_lib.F ./pw/fft/fftw3_lib.F ./pw/cube_utils.F ./pw/ps_wavelet_types.F ./pw/ps_implicit_methods.F ./pw/pw_copy_all.F ./pw/pw_poisson_types.F ./pw/cp_linked_list_pw.F ./pw/pw_grids.F ./qs_mo_io.F ./qmmmx_types.F ./embed_main.F ./parallel_gemm_api.F ./xtb_parameters.F ./qs_tddfpt2_lri_utils.F ./almo_scf_methods.F ./stm_images.F ./header.F ./xas_restart.F ./qs_energy_window.F ./ec_methods.F ./xas_tdp_utils.F ./qs_scf.F ./qs_chargemol.F ./qs_gcp_types.F ./qs_dftb_parameters.F ./fist_efield_types.F ./cp2k_info.F ./dm_ls_scf_curvy.F ./pao_ml_gaussprocess.F ./dm_ls_chebyshev.F ./semi_empirical_int_gks.F ./minbas_methods.F ./qs_ks_utils.F ./atom_fit.F ./qs_fb_input.F ./pao_optimizer.F ./mixed_cdft_types.F ./nequip_unittest.F ./wannier_states.F ./input_cp2k_subsys.F ./qs_tddfpt2_utils.F ./qs_environment_methods.F ./cp_ddapc_util.F ./qs_subsys_methods.F ./xas_control.F ./qs_linres_issc_utils.F ./qs_diis.F ./qs_scf_post_se.F ./qs_localization_methods.F ./input_restart_force_eval.F ./input_constants.F ./qs_scf_methods.F ./offload/offload_api.F ./qs_fb_hash_table_types.F ./almo_scf_qs.F ./swarm/swarm_input.F ./swarm/glbopt_input.F ./swarm/swarm_worker.F ./swarm/swarm_master.F ./swarm/swarm_mpi.F ./swarm/swarm_message.F ./swarm/glbopt_master.F ./swarm/glbopt_history.F ./swarm/glbopt_minhop.F ./swarm/glbopt_mincrawl.F ./swarm/glbopt_worker.F ./swarm/swarm.F ./pao_linpot_rotinv.F ./qs_tddfpt2_smearing_methods.F ./qs_linres_op.F ./ec_efield_local.F ./mscfg_methods.F ./qmmm_types_low.F ./qs_dos.F ./task_list_methods.F ./qmmm_per_elpot.F ./mm_mapping_library.F ./xtb_hab_force.F ./qs_efield_local.F ./pao_ml.F ./input_cp2k_mm.F ./qs_o3c_types.F ./kg_tnadd_mat.F ./rpa_gw_kpoints_util.F ./hfx_energy_potential.F ./semi_empirical_int3_utils.F ./kg_correction.F ./csvr_system_types.F ./qs_core_energies.F ./negf_control_types.F ./qs_dispersion_pairpot.F ./pao_model.F ./force_fields.F ./gw_small_cell_full_kp.F ./qs_2nd_kernel_ao.F ./transport_env_types.F ./xc_pot_saop.F ./replica_methods.F ./qs_ot_minimizer.F ./topology_cp2k.F ./motion/integrator_utils.F ./motion/space_groups.F ./motion/neb_methods.F ./motion/helium_io.F ./motion/reftraj_types.F ./motion/gopt_f77_methods.F ./motion/helium_interactions.F ./motion/md_conserved_quantities.F ./motion/helium_methods.F ./motion/input_cp2k_md.F ./motion/md_vel_utils.F ./motion/wiener_process.F ./motion/md_energies.F ./motion/neb_io.F ./motion/bfgs_optimizer.F ./motion/md_util.F ./motion/averages_types.F ./motion/dimer_types.F ./motion/md_ener_types.F ./motion/neb_utils.F ./motion/pint_methods.F ./motion/cg_optimizer.F ./motion/glbopt_callback.F ./motion/thermal_region_types.F ./motion/helium_worm.F ./motion/helium_sampling.F ./motion/md_environment_types.F ./motion/helium_common.F ./motion/thermostat/barostat_types.F ./motion/thermostat/al_system_mapping.F ./motion/thermostat/al_system_init.F ./motion/thermostat/input_cp2k_barostats.F ./motion/thermostat/extended_system_init.F ./motion/thermostat/gle_system_dynamics.F ./motion/thermostat/csvr_system_dynamics.F ./motion/thermostat/thermostat_mapping.F ./motion/thermostat/extended_system_dynamics.F ./motion/thermostat/csvr_system_mapping.F ./motion/thermostat/thermostat_utils.F ./motion/thermostat/thermostat_methods.F ./motion/thermostat/extended_system_mapping.F ./motion/thermostat/csvr_system_init.F ./motion/thermostat/barostat_utils.F ./motion/thermostat/thermostat_types.F ./motion/thermostat/al_system_dynamics.F ./motion/gopt_f_methods.F ./motion/cg_utils.F ./motion/helium_nnp.F ./motion/input_cp2k_vib.F ./motion/dimer_methods.F ./motion/md_run.F ./motion/integrator.F ./motion/mc/mc_ensembles.F ./motion/mc/mc_move_control.F ./motion/mc/mc_control.F ./motion/mc/mc_coordinates.F ./motion/mc/tamc_run.F ./motion/mc/mc_misc.F ./motion/mc/mc_run.F ./motion/mc/mc_types.F ./motion/mc/mc_moves.F ./motion/mc/mc_ge_moves.F ./motion/mc/mc_environment_types.F ./motion/shell_opt.F ./motion/pint_normalmode.F ./motion/pint_gle.F ./motion/cell_opt_types.F ./motion/xyz2dcd.F ./motion/cp_lbfgs_optimizer_gopt.F ./motion/pint_qtb.F ./motion/gopt_f_types.F ./motion/dumpdcd.F ./motion/pint_io.F ./motion/space_groups_types.F ./motion/pint_piglet.F ./motion/velocity_verlet_control.F ./motion/geo_opt.F ./motion/rt_propagation.F ./motion/thermal_region_utils.F ./motion/neb_opt_utils.F ./motion/cell_opt.F ./motion/cp_lbfgs.F ./motion/cell_opt_utils.F ./motion/pint_transformations.F ./motion/cp_lbfgs_geo.F ./motion/neb_md_utils.F ./motion/pint_staging.F ./motion/helium_types.F ./motion/neb_types.F ./motion/mdctrl_methods.F ./motion/pint_public.F ./motion/free_energy_methods.F ./motion/pint_types.F ./motion/dimer_utils.F ./motion/vibrational_analysis.F ./motion/reftraj_util.F ./motion/pint_pile.F ./motion/input_cp2k_restarts.F ./motion/simpar_methods.F ./motion/gopt_param_types.F ./qs_grid_atom.F ./qs_resp.F ./bse_iterative.F ./atom_admm_methods.F ./sirius_interface.F ./graphcon.F ./soc_pseudopotential_utils.F ./mp2_integrals.F ./input_cp2k_loc.F ./mao_types.F ./qs_wf_history_types.F ./atom_basis.F ./mscfg_types.F ./input_cp2k_dft.F ./qs_neighbor_lists.F ./ewald_pw_types.F ./admm_types.F ./eri_mme/eri_mme_types.F ./eri_mme/eri_mme_util.F ./eri_mme/eri_mme_test.F ./eri_mme/eri_mme_lattice_summation.F ./eri_mme/eri_mme_gaussian.F ./eri_mme/eri_mme_integrate.F ./eri_mme/eri_mme_error_control.F ./input_cp2k_opt.F ./hfx_ri.F ./qs_tddfpt2_stda_types.F ./semi_empirical_mpole_types.F ./input_cp2k_binary_restarts.F ./topology_generate_util.F ./qs_dcdr_utils.F ./gw_main.F ./constraint_3x3.F ./post_scf_bandstructure_methods.F ./eeq_data.F ./xc_adiabatic_utils.F ./qs_rho_atom_methods.F ./topology_cif.F ./sap_kind_types.F ./qs_tddfpt2_soc.F ./libgrpp_integrals.F ./qs_band_structure.F ./topology_types.F ./integration_grid_types.F ./qs_energy_utils.F ./almo_scf_env_methods.F ./optimize_basis_types.F ./optimize_input.F ./qs_gspace_mixing.F ./topology_multiple_unit_cell.F ./negf_green_cache.F ./input_cp2k_global.F ./input_cp2k_atprop.F ./qmmm_types.F ./mp2_ri_2c.F ./statistical_methods.F ./manybody_nequip.F ./ipi_server.F ./semi_empirical_parameters.F ./cp_ddapc_methods.F ./qmmm_force.F ./ewald_environment_types.F ./smeagol_matrix_utils.F ./atom_utils.F ./qs_fb_atomic_halo_types.F ./qs_cdft_opt_types.F ./qs_collocate_density.F ./nnp_force.F ./cp_dbcsr_output.F ./pexsi_interface.F ./preconditioner_apply.F ./qs_dftb_types.F ./qs_tddfpt2_stda_utils.F ./qs_nl_hash_table_types.F ./qs_kind_types.F ./qs_core_hamiltonian.F ./manybody_eam.F ./qmmm_se_forces.F ./hfx_load_balance_methods.F ./qs_active_space_utils.F ./optbas_opt_utils.F ./xc_adiabatic_methods.F ./qmmm_gaussian_types.F ./sockets_interface.F ./qs_ks_apply_restraints.F ./libint_2c_3c.F ./qs_harris_types.F ./cp_realspace_grid_cube.F ./dbx/cp_dbcsr_api.F ./rpa_communication.F ./qs_update_s_mstruct.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 ./dm_ls_scf_types.F ./gw_communication.F ./rpa_im_time.F ./xc_write_output.F ./input_cp2k_force_eval.F ./input_cp2k_read.F ./maxwell_solver_interface.F ./qmmm_elpot.F ./qs_integrate_potential_single.F ./dm_ls_scf_qs.F ./lri_integrals.F ./cp_external_control.F ./qs_scf_output.F ./input_cp2k_nnp.F ./excited_states.F ./qmmm_image_charge.F ./pao_ml_descriptor.F ./linesearch.F ./generic_os_integrals.F ./hfxbase/hfx_contract_block.F ./hfxbase/hfx_contraction_methods.F ./hfxbase/hfx_compression_core_methods.F ./hfx_helpers.F ./force_fields_util.F ./dm_ls_scf_create.F ./qs_scf_types.F ./topology.F ./xas_tp_scf.F ./iao_types.F ./qs_linres_current_utils.F ./qs_integrate_potential_product.F ./rt_propagation_forces.F ./topology_pdb.F ./topology_util.F ./preconditioner_makes.F ./fist_nonbond_env_types.F ./qs_dispersion_d4.F ./xtb_ehess_force.F ./atom_xc.F ./hfx_compression_methods.F ./gw_kp_to_real_space_and_back.F ./rmsd.F ./surface_dipole.F ./hfx_libint_interface.F ./qs_efield_berry.F ./qs_wf_history_methods.F ./rtp_admm_methods.F ./bse_properties.F ./qs_energy.F ./farming_methods.F ./xc/xc_fxc_kernel.F ./xc/xc_xpbe_hole_t_c_lr.F ./xc/xc_ke_gga.F ./xc/xc_hcth.F ./xc/xc_lyp_adiabatic.F ./xc/xc_xalpha.F ./xc/xc_rho_cflags_types.F ./xc/xc_xlda_hole_t_c_lr.F ./xc/xc_xbeef.F ./xc/xc_thomas_fermi.F ./xc/xc_derivative_set_types.F ./xc/xc_optx.F ./xc/xc_libxc.F ./xc/xc_lyp.F ./xc/xc_b97_fxc.F ./xc/xc_derivatives.F ./xc/xc_cs1.F ./xc/xc_vwn.F ./xc/xc_xbecke88_long_range.F ./xc/xc_xbecke88.F ./xc/xc_tpss.F ./xc/xc_perdew_wang.F ./xc/xc_pbe.F ./xc/xc_perdew86.F ./xc/xc_xbr_pbe_lda_hole_t_c_lr.F ./xc/cp_linked_list_xc_deriv.F ./xc/xc_derivative_desc.F ./xc/xc_xwpbe.F ./xc/xc_perdew_zunger.F ./xc/xc_xbecke_roussel.F ./xc/xc_functionals_utilities.F ./xc/xc_input_constants.F ./xc/xc_tfw.F ./xc/xc_derivative_types.F ./xc/xc_pade.F ./xc/xc_util.F ./xc/xc.F ./xc/xc_b97.F ./xc/xc_libxc_wrap.F ./xc/xc_exchange_gga.F ./xc/xc_atom.F ./xc/xc_rho_set_types.F ./xc/xc_xbecke88_lr_adiabatic.F ./input/input_enumeration_types.F ./input/input_val_types.F ./input/cp_parser_status_types.F ./input/cp_parser_ilist_methods.F ./input/cp_parser_inpp_types.F ./input/cp_parser_buffer_types.F ./input/cp_output_handling.F ./input/cp_parser_methods.F ./input/input_section_types.F ./input/cp_linked_list_input.F ./input/cp_parser_types.F ./input/input_keyword_types.F ./input/cp_parser_ilist_types.F ./input/cp_parser_inpp_methods.F ./input/input_parsing.F ./atom_grb.F ./qs_tddfpt2_soc_types.F ./qs_scf_post_tb.F ./qs_kpp1_env_methods.F ./kpoint_transitional.F ./efield_utils.F ./spglib_f08.F ./ec_orth_solver.F ./pao_linpot_full.F ./qs_ks_methods.F ./input_cp2k_properties_dft.F ./input_cp2k_se.F ./grrm_utils.F ./mp2_eri.F ./qs_active_space_types.F ./constraint_clv.F ./hdf5_wrapper.F ./constraint_vsite.F ./nnp_environment.F ./fist_pol_scf.F ./hfx_types.F ./topology_xyz.F ./qs_loc_dipole.F ./input_cp2k_rsgrid.F ./mixed_energy_types.F ./atom_upf.F ./qmmm_create.F ./input_cp2k_thermostats.F ./input_cp2k_voronoi.F ./qs_tddfpt_types.F ./lri_ks_methods.F ./mp2_direct_method.F ./hfx_admm_utils.F ./qs_period_efield_types.F ./localization_tb.F ./qs_external_density.F ./atom_energy.F ./global_types.F ./ec_env_types.F ./torch_api.F ./atom_operators.F ./almo_scf_diis_types.F ./input_cp2k_qs.F ./pw_poisson_read_input.F ./qs_p_env_methods.F ./outer_scf_control_types.F ./mp2_ri_libint.F ./qmmm_gaussian_input.F ./extended_system_types.F ./qs_fb_filter_matrix_methods.F ./qs_mfp.F ./xas_tdp_correction.F ./qs_tensors_types.F ./qs_local_rho_types.F ./input_cp2k_projection_rtp.F ./simpar_types.F ./input_cp2k_transport.F ./eip_environment.F ./semi_empirical_integrals.F ./hfx_communication.F ./hfx_ri_kp.F ./force_env_utils.F ./subcell_types.F ./qs_neighbor_list_types.F ./topology_input.F ./optimize_basis_utils.F ./qs_dispersion_cnum.F ./fist_main.F ./qs_elec_field.F ./group_dist_types.F ./kpoint_types.F ./optbas_fenv_manipulation.F ./qmmm_gaussian_init.F ./uff_vdw_radii_table.F ./beta_gamma_psi.F ./qs_dispersion_d2.F ./distribution_methods.F ./xas_tdp_integrals.F ./free_energy_types.F ./qs_mo_types.F ./core_ae.F ./qs_scf_lanczos.F ./mixed_cdft_methods.F ./constraint.F ./kpoint_methods.F ./lri_compression.F ./rpa_gw_sigma_x.F ./subsys/external_potential_types.F ./subsys/molecule_list_types.F ./subsys/cp_subsys_types.F ./subsys/force_field_kind_types.F ./subsys/particle_list_types.F ./subsys/shell_potential_types.F ./subsys/atprop_types.F ./subsys/molecule_kind_list_types.F ./subsys/atomic_kind_list_types.F ./subsys/molecule_kind_types.F ./subsys/virial_types.F ./subsys/colvar_types.F ./subsys/cell_types.F ./subsys/multipole_types.F ./subsys/molecule_types.F ./subsys/damping_dipole_types.F ./subsys/atomic_kind_types.F ./subsys/particle_types.F ./qs_integrate_potential.F ./qs_oce_types.F ./rpa_im_time_force_methods.F ./semi_empirical_expns3_types.F ./mp2_eri_gpw.F ./qs_kinetic.F ./pme.F ./qs_dispersion_nonloc.F ./qs_force.F ./submatrix_dissection.F ./xas_tdp_kernel.F ./pao_param_gth.F ./mp2_ri_grad_util.F ./input_cp2k_qmmm.F ./dgemm_counter_types.F ./qs_mo_methods.F ./fp_types.F ./minbas_wfn_analysis.F ./xtb_potentials.F ./mdctrl_types.F ./rpa_gw_ic.F ./manybody_siepmann.F ./qs_force_types.F ./pao_types.F ./qs_initial_guess.F ./qs_loc_utils.F ./fist_efield_methods.F ./qs_gamma2kp.F ./mp2.F ./almo_scf_lbfgs_types.F ./gapw_1c_basis_set.F ./atom_sgp.F ./qs_cdft_methods.F ./csvr_system_utils.F ./qs_dftb_dispersion.F ./optimize_dmfet_potential.F ./ewald_methods_tb.F ./mulliken.F ./pilaenv_hack.F ./lri_environment_types.F ./qmmm_util.F ./qs_dftb_matrices.F ./atom_kind_orbitals.F ./cell_methods.F ./moments_utils.F ./bse_print.F ./manybody_gal.F ./xas_tdp_types.F ./domain_submatrix_methods.F ./qs_dispersion_utils.F ./input_cp2k_as.F ./et_coupling_types.F ./voronoi_interface.F ./commutator_rkinetic.F ./admm_utils.F ./qs_linres_methods.F ./qs_matrix_w.F ./input_cp2k_xas.F ./force_field_types.F ./hirshfeld_methods.F ./qs_tddfpt2_eigensolver.F ./hfx_pw_methods.F ./qs_tddfpt_utils.F ./qs_cdft_scf_utils.F ./negf_green_methods.F ./rpa_util.F ./fp_methods.F ./negf_alloc_types.F ./qs_environment.F ./embed_types.F ./iterate_matrix.F ./lri_environment_methods.F ./post_scf_bandstructure_utils.F ./qs_tddfpt2_fhxc.F ./pao_param.F ./manybody_deepmd.F ./se_fock_matrix_dbg.F ./pao_param_fock.F ./ewald_pw_methods.F ./pair_potential.F ./xtb_ks_matrix.F ./qs_density_matrices.F ./qs_vxc.F ./mao_optimizer.F ./xtb_hcore.F ./lri_environment_init.F ./qs_gapw_densities.F ./input_cp2k_mixed.F ./qs_epr_hyp.F ./minimax/minimax_exp_k15.F ./minimax/minimax_exp_gw.F ./minimax/minimax_exp.F ./minimax/minimax_exp_k53.F ./minimax/minimax_rpa.F ./input_cp2k_colvar.F ./input_restart_rng.F ./pao_param_equi.F ./qs_eht_guess.F ./mol_force.F ./rt_propagation_types.F ./cryssym.F ./eeq_method.F ./input_cp2k_distribution.F ./hartree_local_types.F ./se_fock_matrix_exchange.F ./negf_integr_utils.F ./mm_collocate_potential.F ./pao_param_exp.F ./qmmmx_create.F ./topology_gromos.F ./semi_empirical_store_int_types.F ./qmmm_gaussian_data.F ./fist_nonbond_force.F ./force_fields_input.F ./qs_nonscf.F ./xas_tdp_atom.F ./input_cp2k_exstate.F ./negf_matrix_utils.F ./cp_ddapc.F ./qs_ot.F ./qmmmx_force.F ./ipi_environment_types.F ./scf_control_types.F ./pair_potential_util.F ./qs_pdos.F ./ri_environment_methods.F ./hfx_exx.F ./fist_environment_types.F ./submatrix_types.F ./qs_electric_field_gradient.F ./negf_integr_simpson.F ./cp_dbcsr_cholesky.F ./al_system_types.F ./input_cp2k_atom.F ./qs_fxc.F ./rel_control_types.F ./library_tests.F ./mode_selective.F ./xtb_matrices.F ./colvar_utils.F ./almo_scf_optimizer.F ./qs_cdft_types.F ./qs_harmonics_atom.F ./pw_env/rs_pw_interface.F ./pw_env/cp_spline_utils.F ./pw_env/pw_env_types.F ./pw_env/gaussian_gridlevels.F ./kg_environment.F ./common/bibliography.F ./common/list_timerenv.F ./common/timings_types.F ./common/parallel_rng_types.F ./common/structure_factors.F ./common/list_routinestat.F ./common/cp_result_methods.F ./common/lapack.F ./common/cp_units.F ./common/t_c_g0.F ./common/timings_report.F ./common/string_table.F ./common/timings.F ./common/spherical_harmonics.F ./common/periodic_table.F ./common/eigenvalueproblems.F ./common/string_utilities.F ./common/cp_result_types.F ./common/gamma.F ./common/cp_log_handling.F ./common/bessel_lib.F ./common/timings_base_type.F ./common/d3_poly.F ./common/list_callstackentry.F ./common/cp_iter_types.F ./common/memory_utilities.F ./common/powell.F ./common/routine_map.F ./common/list_routinereport.F ./common/list.F ./common/physcon.F ./common/mathlib.F ./common/cg_test.F ./common/t_sh_p_s_c.F ./common/splines.F ./common/distribution_1d_types.F ./common/cp_array_sort.F ./common/util.F ./common/reference_manager.F ./common/linear_systems.F ./common/whittaker.F ./common/cp_array_utils.F ./common/memory_utilities_unittest.F ./common/cp_files.F ./common/callgraph.F ./common/lebedev.F ./common/structure_factor_types.F ./common/kahan_sum.F ./common/fparser.F ./common/mathconstants.F ./common/cp_error_handling.F ./common/print_messages.F ./common/cp_min_heap.F ./common/parallel_rng_types_unittest.F ./ec_external.F ./qs_local_properties.F ./fist_neighbor_lists.F ./lri_forces.F ./qs_rho0_types.F ./et_coupling.F ./pexsi_types.F ./pao_param_linpot.F ./semi_empirical_types.F ./qs_interactions.F ./mixed_environment_utils.F ./optimize_embedding_potential.F ./qs_linres_nmr_epr_common_utils.F ./cp_eri_mme_interface.F ./qs_gcp_utils.F ./qs_tddfpt2_types.F ./wannier90.F ./qs_fb_atomic_matrix_methods.F ./fist_environment.F ./qs_wannier90.F ./pao_io.F ./topology_constraint_util.F ./kg_environment_types.F ./qs_basis_gradient.F ./qmmm_links_methods.F ./mixed_environment.F ./qs_rho0_methods.F ./qs_fb_env_methods.F ./metadynamics.F ./eip_environment_types.F ./topology_connectivity_util.F ./metadynamics_types.F ./external_potential_methods.F ./xas_tdp_methods.F ./qs_linres_atom_current.F ./semi_empirical_int_ana.F ./ewald_spline_util.F ./cp_dbcsr_operations.F ./cp_symmetry.F ./qs_spin_orbit.F ./qmmm_se_energy.F ./input_cp2k_scf.F ./input_cp2k_poisson.F ./qs_integral_utils.F ./scine_utils.F ./qs_loc_molecules.F ./metadynamics_utils.F ./local_gemm_api.F ./rpa_exchange.F ./qmmm_pw_grid.F ./exclusion_types.F ./molecular_states.F ./topology_coordinate_util.F ./qs_outer_scf.F ./qs_vxc_atom.F ./response_solver.F ./qs_environment_types.F ./emd/rt_bse_types.F ./emd/rt_delta_pulse.F ./emd/rt_propagation_methods.F ./emd/rt_make_propagators.F ./emd/rt_propagation_output.F ./emd/rt_propagation_utils.F ./emd/rt_hfx_utils.F ./emd/rt_bse_io.F ./emd/rt_projection_mo_utils.F ./emd/rt_bse.F ./emd/rt_propagator_init.F ./dft_plus_u.F ./xtb_ehess.F ./admm_dm_types.F ./qs_dftb_utils.F ./qs_energy_types.F ./dbm/dbm_api.F ./dbm/dbm_tests.F ./xas_env_types.F ./qs_tddfpt2_fprint.F ./qs_rho0_ggrid.F ./qs_active_space_methods.F ./pexsi_methods.F ./xtb_coulomb.F ./domain_submatrix_types.F ./input_cp2k_harris.F ./lri_optimize_ri_basis.F ./smeagol_control_types.F ./smeagol_emtoptions.F ./input_cp2k_motion_print.F ./qs_scf_loop_utils.F ./mp2_setup.F ./pwdft_environment_types.F ./qs_sccs.F ./soc_pseudopotential_methods.F ./dkh_main.F ./mixed_cdft_utils.F ./ewalds_multipole.F ./input_cp2k_tb.F ./semi_empirical_mpole_methods.F ./qs_mom_types.F ./molecular_dipoles.F ./manybody_tersoff.F ./fist_neighbor_list_types.F ./pw_env_methods.F ./gw_large_cell_gamma.F ./semi_empirical_int_debug.F ./qs_cdft_utils.F ./constraint_util.F ./splines_types.F ./qs_tddfpt2_soc_utils.F ./energy_corrections.F ./cp_control_utils.F ./se_core_core.F ./semi_empirical_int_num.F ./se_core_matrix.F ./debug_os_integrals.F ./qs_linres_nmr_utils.F ./matrix_exp.F ./fist_neighbor_list_control.F ./s_square_methods.F ./qs_dcdr_ao.F ./negf_methods.F ./input_cp2k_pwdft.F ./xtb_types.F ./input_cp2k_constraints.F ./pair_potential_types.F ./auto_basis.F ./ipi_driver.F ./qs_fermi_contact.F ./bsse.F ./efield_tb_methods.F ./qs_linres_polar_utils.F ./mp2_gpw.F ./qs_tddfpt2_densities.F ./ex_property_calculation.F ./input_cp2k_external.F ./cp_control_types.F ./kpoint_io.F ./preconditioner.F ./pair_potential_coulomb.F ./qs_scf_initialization.F ./optimize_basis.F ./qs_linres_epr_utils.F ./mp2_gpw_method.F ./manybody_allegro.F ./splines_methods.F ./gw_integrals.F ./core_ppl.F ./input_cp2k_resp.F ./negf_integr_cc.F ./input_optimize_input.F ./qs_linres_current.F ./ec_environment.F ./qs_ks_reference.F ./fist_energy_types.F ./qs_dftb_coulomb.F ./qs_linres_nmr_shift.F ./input_cp2k_free_energy.F ./input_cp2k_ls.F ./pao_main.F ./exstates_types.F ./kg_vertex_coloring_methods.F ./input_cp2k_hfx.F ./eeq_input.F ./qmmmx_util.F ./semi_empirical_par_utils.F ./pao_param_methods.F ./kpoint_coulomb_2c.F ./qs_fb_trial_fns_types.F ./nnp_acsf.F ./hfx_screening_methods.F ./farming_types.F ./qs_basis_rotation_methods.F ./xray_diffraction.F ./qmmm_gpw_energy.F ./commutator_rpnl.F ./se_fock_matrix_coulomb.F ./atom_output.F ./arnoldi/arnoldi_geev.F ./arnoldi/arnoldi_api.F ./arnoldi/arnoldi_data_methods.F ./arnoldi/arnoldi_methods.F ./arnoldi/arnoldi_types.F ./qs_block_davidson_types.F ./dm_ls_scf_methods.F ./colvar_methods.F ./qs_ot_eigensolver.F ./mao_wfn_analysis.F ./qs_scf_post_scf.F ./ipi_environment.F ./qs_tddfpt2_properties.F ./kpsym.F ./input_cp2k_field.F ./qs_linres_module.F ./nnp_model.F ./qs_nonscf_utils.F ./qs_condnum.F ./nnp_environment_types.F ./qs_diis_types.F ./qs_dispersion_types.F ./qs_linres_epr_nablavks.F ./qs_scf_post_gpw.F ./hartree_local_methods.F ./libint_wrapper.F ./hirshfeld_types.F ./cp_dbcsr_diag.F ./atoms_input.F ./qmmm_gpw_forces.F ./qs_energy_init.F ./admm_methods.F ./negf_vectors.F ./input_cp2k_eip.F ./topology_psf.F ./mp2_optimize_ri_basis.F ./atom_types.F ./qs_mo_occupation.F ./force_env_methods.F ./qs_ot_types.F ./core_ppnl.F ./rpa_gw.F ./input_cp2k_embed.F ./fm/cp_fm_diag_utils.F ./fm/cp_fm_pool_types.F ./fm/cp_fm_struct.F ./fm/cp_blacs_env.F ./fm/cp_fm_elpa.F ./fm/cp_fm_basic_linalg.F ./fm/cp_blacs_types.F ./fm/cp_dlaf_utils_api.F ./fm/cp_cfm_basic_linalg.F ./fm/cp_cfm_diag.F ./fm/cp_fm_cusolver_api.F ./fm/cp_fm_types.F ./fm/cp_fm_cholesky.F ./fm/cp_fm_dlaf_api.F ./fm/cp_cfm_types.F ./fm/cp_cfm_dlaf_api.F ./fm/cp_linked_list_fm.F ./fm/cp_cfm_cholesky.F ./fm/cp_fm_diag.F ./qs_elf_methods.F ./qs_vcd_utils.F ./basis_set_output.F ./qs_charges_types.F ./atom_pseudo.F ./cp_subsys_methods.F ./qmmm_init.F ./qs_dftb3_methods.F ./qs_external_potential.F ./qs_o3c_methods.F ./se_fock_matrix.F ./negf_env_types.F ./molecular_moments.F ./qs_ot_scf.F ./qmmm_tb_methods.F ./qs_scf_csr_write.F ./qs_vcd.F ./constraint_fxd.F ./rpa_sigma_functional.F ./atomic_charges.F ./atom.F ./qs_kpp1_env_types.F ./qs_tddfpt2_assign.F ./deepmd_wrapper.F ./qs_scf_wfn_mix.F ./qs_fb_env_types.F ./cp2k_debug.F ./qs_rho_types.F ./manybody_potential.F ./mixed_main.F ./trexio_utils.F ./molden_utils.F ./input_cp2k_almo.F ./negf_atom_map.F ./eip_silicon.F ./ewalds.F ./topology_amber.F ./qs_tddfpt2_operators.F ./bse_main.F ./mp2_laplace.F ./atom_set_basis.F ./smeagol_interface.F ./qs_tddfpt2_subgroups.F ./qs_oce_methods.F ./cp_ddapc_types.F ./ct_types.F ./tip_scan_methods.F ./pwdft_environment.F ./qs_linres_kernel.F ./semi_empirical_int_arrays.F ./rpa_main.F ./input_optimize_basis.F ./base/machine_cpuid.c ./base/openmp_trace.c ./grid/grid_replay.c ./grid/grid_task_list.c ./grid/dgemm/grid_dgemm_collocation_integration.c ./grid/dgemm/grid_dgemm_utils.c ./grid/dgemm/grid_dgemm_context.c ./grid/dgemm/grid_dgemm_collocate.c ./grid/dgemm/grid_dgemm_prepare_pab.c ./grid/dgemm/grid_dgemm_non_orthorombic_corrections.c ./grid/dgemm/grid_dgemm_coefficients.c ./grid/dgemm/grid_dgemm_tensor_local.c ./grid/dgemm/grid_dgemm_integrate.c ./grid/cpu/grid_cpu_prepare_pab.c ./grid/cpu/grid_cpu_collocate.c ./grid/cpu/grid_cpu_integrate.c ./grid/cpu/grid_cpu_task_list.c ./grid/ref/grid_ref_task_list.c ./grid/ref/grid_ref_integrate.c ./grid/ref/grid_ref_collocate.c ./grid/ref/grid_ref_prepare_pab.c ./grid/common/grid_sphere_cache.c ./grid/common/grid_library.c ./grid/common/grid_basis_set.c ./grid/grid_miniapp.c ./grid/grid_unittest.c ./start/libcp2k_unittest.c ./pw/fpga/fft_fpga.c ./pw/fpga/opencl_utils.c ./pw/gpu/pw_gpu_internal.c ./offload/offload_library.c ./offload/offload_buffer.c ./dbm/dbm_distribution.c ./dbm/dbm_multiply_cpu.c ./dbm/dbm_library.c ./dbm/dbm_matrix.c ./dbm/dbm_multiply_comm.c ./dbm/dbm_mpi.c ./dbm/dbm_mempool.c ./dbm/dbm_multiply.c ./dbm/dbm_multiply_opencl.c ./dbm/dbm_multiply_gpu.c ./dbm/dbm_shard.c ./dbm/dbm_miniapp.c ./sockets.c ./fm/cp_fm_cusolver.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 /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/base/kinds.F kinds.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'kahan_sum.o' 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/kahan_sum.F kahan_sum.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'offload_buffer.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/offload/offload_buffer.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'offload_library.o' due to: target does not exist mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/offload/offload_library.c -/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'openmp_trace.o' due to: target does not exist -mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/base/openmp_trace.c +/build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'offload_buffer.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/offload/offload_buffer.c /build/reproducible-path/cp2k-2025.1/Makefile:517: update target 'machine_cpuid.o' due to: target does not exist 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 'openmp_trace.o' due to: target does not exist +mpicc -c -g -Wall -O2 -fopenmp /build/reproducible-path/cp2k-2025.1/src/base/openmp_trace.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_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_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_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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:12 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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.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_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 /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:12 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_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_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="\"Sun Apr 13 06:25:36 +14 2025\"" -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 +/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_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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:37 +14 2025\"" -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 /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_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_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 +/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_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_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_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_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 '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 /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/fft/fft_kinds.F fft_kinds.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'fft_plan.o' 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_plan.F fft_plan.F90 -/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_replay.o' due to: target does not exist 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_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_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_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_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_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_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_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_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_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_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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:12 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:37 +14 2025\"" -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_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_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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:12 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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_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_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_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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:37 +14 2025\"" -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_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_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_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_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_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_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_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_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_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_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 '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 @@ -1602,80 +1638,75 @@ 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="\"Fri May 15 10:03:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:37 +14 2025\"" -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="\"Sun Apr 13 06:25:37 +14 2025\"" -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 /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 /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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="\"Fri May 15 10:03:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:38 +14 2025\"" -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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fft_plan.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/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_basis_set.o grid_library.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="\"Sun Apr 13 06:25:38 +14 2025\"" -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 +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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:38 +14 2025\"" -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 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" +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:38 +14 2025\"" -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 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 +/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/libcp2kfpga.a ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfpga.a fft_fpga.o opencl_utils.o -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 '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 +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: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="\"Fri May 15 10:03:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 '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 '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 '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 -/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:38 +14 2025\"" -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:560: update target 'fft_plan.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:38 +14 2025\"" -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="\"Sun Apr 13 06:25:38 +14 2025\"" -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="\"Sun Apr 13 06:25:38 +14 2025\"" -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="\"Sun Apr 13 06:25:38 +14 2025\"" -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="\"Sun Apr 13 06:25:38 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:38 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/motion/xyz2dcd.F:605:28: 605 | SUBROUTINE build_h_matrix(a, b, c, alpha, beta, gamma, h) | ^ Warning: 'build_h_matrix' 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="\"Fri May 15 10:03:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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/src/base/machine.F:393:25: 393 | SUBROUTINE abort() BIND(C, name="abort") @@ -1711,16 +1742,11 @@ 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] -/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 'timings_base_type.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:560: update target 'input_constants.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: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/src/motion/xyz2dcd.F:58:70: 58 | REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE :: r, r_pbc, r0, s, s_pbc @@ -1747,28 +1773,19 @@ 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 '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:560: update target 'input_constants.mod' due to: target does not exist +true /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="\"Fri May 15 10:03:14 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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_coefficients.o grid_dgemm_context.o grid_dgemm_collocation_integration.o grid_dgemm_non_orthorombic_corrections.o grid_dgemm_collocate.o grid_dgemm_integrate.o grid_dgemm_prepare_pab.o grid_dgemm_tensor_local.o grid_dgemm_utils.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 -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:560: update target 'physcon.mod' due to: target does not exist +/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/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_collocate.o grid_ref_prepare_pab.o grid_ref_task_list.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/src/motion/dumpdcd.F:844:83: 844 | WRITE (UNIT=output_unit) REAL(atomic_displacement(:), KIND=sp) @@ -1799,28 +1816,137 @@ 91 | REAL(KIND=dp), DIMENSION(:, :), ALLOCATABLE :: r_pbc, r0, s, s_pbc | ^ note: 'r0.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="\"Fri May 15 10:03:14 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'base_hooks.mod' due to: target does not exist +/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: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_collocation_integration.o grid_dgemm_utils.o grid_dgemm_context.o grid_dgemm_collocate.o grid_dgemm_prepare_pab.o grid_dgemm_non_orthorombic_corrections.o grid_dgemm_coefficients.o grid_dgemm_tensor_local.o grid_dgemm_integrate.o +/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 +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgriddgemm.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="\"Sun Apr 13 06:25:40 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:40 +14 2025\"" -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: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_integrate.o grid_ref_collocate.o grid_ref_prepare_pab.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kgridref.a +/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_collocate.o grid_cpu_integrate.o grid_cpu_task_list.o +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 'physcon.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 kinds.o machine.o base_hooks.o openmp_trace.o machine_cpuid.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kbase.a base_hooks.o kinds.o machine.o machine_cpuid.o openmp_trace.o +/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: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 +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 '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 '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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:42 +14 2025\"" -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="\"Sun Apr 13 06:25:42 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:42 +14 2025\"" -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 +/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 +/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/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/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/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="\"Sun Apr 13 06:25:42 +14 2025\"" -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 +/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="\"Sun Apr 13 06:25:42 +14 2025\"" -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/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 +/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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:42 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:42 +14 2025\"" -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="\"Sun Apr 13 06:25:42 +14 2025\"" -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 +/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 +/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 '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 '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 '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: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: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/callgraph.F:17:6: + + 17 | #:call hash_map(prefix='callgraph', & + | ^ +Warning: 'callgraph_isready' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/callgraph.F:17:30: + + 17 | #:call hash_map(prefix='callgraph', & + | ^ +Warning: 'callgraph_del' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/callgraph.F:17:33: + + 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="\"Sun Apr 13 06:25:42 +14 2025\"" -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="\"Sun Apr 13 06:25:42 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:42 +14 2025\"" -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="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:43 +14 2025\"" -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="\"Sun Apr 13 06:25:43 +14 2025\"" -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="\"Sun Apr 13 06:25:43 +14 2025\"" -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="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:43 +14 2025\"" -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: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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +/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 '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 '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 '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 /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 /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/fft/mltfftsg_tools.F mltfftsg_tools.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 -/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 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'damping_dipole_types.o' 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/damping_dipole_types.F damping_dipole_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_parser_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/input/cp_parser_buffer_types.F cp_parser_buffer_types.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 'cp_parser_ilist_types.o' 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_types.F cp_parser_ilist_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_parser_inpp_types.o' due to: target does not exist @@ -1829,107 +1955,318 @@ /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 /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="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:43 +14 2025\"" -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="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'damping_dipole_types.o' 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/damping_dipole_types.F 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="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +/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/eigenvalueproblems.F:146:25: + + 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:180:25: + + 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: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="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/common/splines.F:261:27: + + 261 | SUBROUTINE spline3valder(x, xi, c, val, der) + | ^ +Warning: 'spline3valder' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/whittaker.F:111:26: + + 111 | SUBROUTINE whittaker_c0(wc, r, expa, erfa, alpha, l, n) + | ^ +Warning: 'whittaker_c0' 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="\"Sun Apr 13 06:25:43 +14 2025\"" -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/src/common/routine_map.F:16:6: + + 16 | #:call hash_map(prefix='routine_map', & + | ^ +Warning: 'routine_map_isready' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/routine_map.F:16:32: + + 16 | #:call hash_map(prefix='routine_map', & + | ^ +Warning: 'routine_map_del' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/routine_map.F:16:35: + + 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="\"Sun Apr 13 06:25:43 +14 2025\"" -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/src/common/gamma.F:281:22: + + 281 | SUBROUTINE fgamma_1(nmax, t, f) + | ^ +Warning: 'fgamma_1' 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="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:235:3: + + 235 | PURE FUNCTION mono_index1(i) RESULT(res) + | ^ +Warning: 'mono_index1' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:281:3: + + 281 | PURE FUNCTION mono_exp1(ii) RESULT(res) + | ^ +Warning: 'mono_exp1' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:332:3: + + 332 | PURE FUNCTION mono_mult1(ii, ij) RESULT(res) + | ^ +Warning: 'mono_mult1' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:345:3: + + 345 | PURE FUNCTION mono_mult2(ii, ij) RESULT(res) + | ^ +Warning: 'mono_mult2' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:361:3: + + 361 | PURE FUNCTION mono_mult3(ii, ij) RESULT(res) + | ^ +Warning: 'mono_mult3' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:379:24: + + 379 | SUBROUTINE poly_mult1(p1, p2, pRes, np1, sumUp) + | ^ +Warning: 'poly_mult1' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:424:24: + + 424 | SUBROUTINE poly_mult2(p1, p2, pRes, np1, sumUp) + | ^ +Warning: 'poly_mult2' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:502:24: + + 502 | SUBROUTINE poly_mult3(p1, p2, pRes, np1, sumUp) + | ^ +Warning: 'poly_mult3' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:736:25: + + 736 | SUBROUTINE poly_write1(p, out_f) + | ^ +Warning: 'poly_write1' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:760:25: + + 760 | SUBROUTINE poly_write2(p, out_f) + | ^ +Warning: 'poly_write2' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:788:25: + + 788 | SUBROUTINE poly_write3(p, out_f) + | ^ +Warning: 'poly_write3' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:820:3: + + 820 | FUNCTION poly_random(p, maxSize, minSize) RESULT(res) + | ^ +Warning: 'poly_random' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1173:26: + + 1173 | SUBROUTINE poly_p_eval3(p, x, pRes, npoly) + | ^ +Warning: 'poly_p_eval3' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1277:31: + + 1277 | SUBROUTINE poly_padd_uneval3(p, x, pRes, npoly) + | ^ +Warning: 'poly_padd_uneval3' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1380:26: + + 1380 | SUBROUTINE poly_p_eval2(p, x, pRes, npoly) + | ^ +Warning: 'poly_p_eval2' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1479:31: + + 1479 | SUBROUTINE poly_padd_uneval2(p, x, pRes, npoly) + | ^ +Warning: 'poly_padd_uneval2' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1577:24: + + 1577 | SUBROUTINE poly_eval1(p, x, pRes, npoly) + | ^ +Warning: 'poly_eval1' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1611:24: + + 1611 | SUBROUTINE poly_eval2(p, x, y, pRes, npoly) + | ^ +Warning: 'poly_eval2' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1678:24: + + 1678 | SUBROUTINE poly_eval3(p, x, y, z, pRes, npoly) + | ^ +Warning: 'poly_eval3' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1751:26: + + 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="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:43 +14 2025\"" -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/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] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:43 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:43 +14 2025\"" -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/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 '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 +/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/src/common/routine_map.F:16:34: + + 16 | #:call hash_map(prefix='routine_map', & + | ^ +Warning: 'value' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/routine_map.F:16:74: + + 16 | #:call hash_map(prefix='routine_map', & + | ^ +note: 'value' was declared here /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="\"Sun Apr 13 06:25:43 +14 2025\"" -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 /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 +/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="\"Sun Apr 13 06:25:43 +14 2025\"" -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="\"Sun Apr 13 06:25:44 +14 2025\"" -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 +/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:473:62: + + 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:473:66: + + 473 | INTEGER :: ib, in, j, lstr + | ^ +note: 'in' was declared here /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 -/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="\"Sun Apr 13 06:25:44 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gamma.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:44 +14 2025\"" -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 /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 -/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/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:1669:27: + + 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:1669:37: + + 1669 | reduc, sg, sgk, shs, ss, sth, temp, tempa, tempb + | ^ +note: 'shs' was declared here /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 -/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 +/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/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:988:68: + + 988 | hh, xval + | ^ +note: 'xval' was declared here +/build/reproducible-path/cp2k-2025.1/src/common/lebedev.F:146:42: + + 146 | END FUNCTION get_number_of_lebedev_grid + | ^ +Warning: 'number_of_lebedev_grid' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/lebedev.F:113:75: + + 113 | FUNCTION get_number_of_lebedev_grid(l, n) RESULT(number_of_lebedev_grid) + | ^ +note: 'number_of_lebedev_grid' 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="\"Sun Apr 13 06:25:44 +14 2025\"" -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="\"Sun Apr 13 06:25:44 +14 2025\"" -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 /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 -/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 -/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 -/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 -/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 -/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 -/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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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/src/aobasis/orbital_symbols.F:126:31: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:44 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/common/spherical_harmonics.F:1465:25: - 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: + 1465 | END FUNCTION dlegendre + | ^ +Warning: 'dplm' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/spherical_harmonics.F:1336:43: - 112 | INTEGER :: i - | ^ -note: 'i' was declared here + 1336 | FUNCTION dlegendre(x, l, m) RESULT(dplm) + | ^ +note: 'dplm' was declared here /build/reproducible-path/cp2k-2025.1/src/aobasis/ai_onecenter.F:799:22: 799 | SUBROUTINE sto_conf(gmat, rc, k, na, pa, nb, pb) @@ -1975,8 +2312,59 @@ 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 '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 '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/src/aobasis/ai_eri_debug.F:56:21: + + 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/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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:45 +14 2025\"" -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="\"Sun Apr 13 06:25:45 +14 2025\"" -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="\"Sun Apr 13 06:25:45 +14 2025\"" -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 +/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="\"Sun Apr 13 06:25:45 +14 2025\"" -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 +/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/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: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="\"Sun Apr 13 06:25:45 +14 2025\"" -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 +/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="\"Sun Apr 13 06:25:45 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:45 +14 2025\"" -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="\"Sun Apr 13 06:25:45 +14 2025\"" -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 +/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 +/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="\"Sun Apr 13 06:25:46 +14 2025\"" -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="\"Sun Apr 13 06:25:45 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:46 +14 2025\"" -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 +/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="\"Sun Apr 13 06:25:46 +14 2025\"" -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 +/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="\"Sun Apr 13 06:25:46 +14 2025\"" -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 +/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/src/torch_api.F:479:14: 479 | CPASSERT(ABS(temp) < HUGE(dest)) @@ -1987,108 +2375,173 @@ 477 | INTEGER(kind=int_8) :: temp | ^ note: 'temp' was declared here +/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="\"Sun Apr 13 06:25:46 +14 2025\"" -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="\"Sun Apr 13 06:25:46 +14 2025\"" -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 +/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 +/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="\"Sun Apr 13 06:25:46 +14 2025\"" -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="\"Sun Apr 13 06:25:46 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:46 +14 2025\"" -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 +/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: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="\"Sun Apr 13 06:25:47 +14 2025\"" -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 +/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="\"Sun Apr 13 06:25:47 +14 2025\"" -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 /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="\"Sun Apr 13 06:25:47 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:47 +14 2025\"" -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="\"Sun Apr 13 06:25:47 +14 2025\"" -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 +/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: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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:25:47 +14 2025\"" -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 /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 /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="\"Sun Apr 13 06:25:47 +14 2025\"" -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/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="\"Sun Apr 13 06:25:47 +14 2025\"" -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="\"Sun Apr 13 06:25:47 +14 2025\"" -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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:25:47 +14 2025\"" -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="\"Sun Apr 13 06:25:47 +14 2025\"" -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 /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="\"Sun Apr 13 06:25:47 +14 2025\"" -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="\"Sun Apr 13 06:25:48 +14 2025\"" -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 /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 /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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 -/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/src/qs_fb_trial_fns_types.F:162:31: + + 162 | SUBROUTINE fb_trial_fns_init(trial_fns) + | ^ +Warning: 'fb_trial_fns_init' defined but not used [-Wunused-function] /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: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="\"Sun Apr 13 06:25:50 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:50 +14 2025\"" -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="\"Sun Apr 13 06:25:50 +14 2025\"" -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 '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:560: update target 'fparser.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: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 '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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_min_heap.mod' due to: target does not exist +true /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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 +/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:560: update target 'ai_contraction.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:50 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:50 +14 2025\"" -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="\"Sun Apr 13 06:25:48 +14 2025\"" -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="\"Sun Apr 13 06:25:50 +14 2025\"" -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 /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:50 +14 2025\"" -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="\"Sun Apr 13 06:25:50 +14 2025\"" -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 +/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: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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/beta_gamma_psi.F:1092:20: + + 1092 | SUBROUTINE bratio(a, b, x, y, w, w1, ierr) + | ^ +Warning: 'bratio' defined but not used [-Wunused-function] /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="\"Sun Apr 13 06:25:52 +14 2025\"" -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 /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 /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="\"Sun Apr 13 06:25:52 +14 2025\"" -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/Makefile:560: update target 'eigenvalueproblems.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:52 +14 2025\"" -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 /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="\"Sun Apr 13 06:25:52 +14 2025\"" -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/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="\"Sun Apr 13 06:25:53 +14 2025\"" -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 '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/src/qs_fb_trial_fns_types.F:162:31: - - 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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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="\"Sun Apr 13 06:25:53 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:53 +14 2025\"" -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 /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 /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 -/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="\"Sun Apr 13 06:25:52 +14 2025\"" -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="\"Sun Apr 13 06:25:53 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/qs_fb_buffer_types.F:202:35: + + 202 | SUBROUTINE fb_buffer_i_associate(a, b) + | ^ +Warning: 'fb_buffer_i_associate' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_fb_buffer_types.F:518:35: + + 518 | SUBROUTINE fb_buffer_d_associate(a, b) + | ^ +Warning: 'fb_buffer_d_associate' defined but not used [-Wunused-function] /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:53 +14 2025\"" -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="\"Sun Apr 13 06:25:53 +14 2025\"" -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 +/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="\"Sun Apr 13 06:25:53 +14 2025\"" -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 '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 /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 /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 @@ -2097,443 +2550,226 @@ /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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/src/beta_gamma_psi.F:1092:20: - - 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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/qs_fb_buffer_types.F:202:35: - - 202 | SUBROUTINE fb_buffer_i_associate(a, b) - | ^ -Warning: 'fb_buffer_i_associate' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_fb_buffer_types.F:518:35: - - 518 | SUBROUTINE fb_buffer_d_associate(a, b) - | ^ -Warning: 'fb_buffer_d_associate' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/minimax/minimax_exp_gw.F:79:10: - - 79 | 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_exp_gw.F:45:67: - - 45 | REAL(KIND=dp) :: E_ratio - | ^ -note: 'e_ratio' 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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:53 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:53 +14 2025\"" -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="\"Sun Apr 13 06:25:53 +14 2025\"" -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="\"Sun Apr 13 06:25:53 +14 2025\"" -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="\"Sun Apr 13 06:25:53 +14 2025\"" -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="\"Sun Apr 13 06:25:53 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'memory_utilities.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:53 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/mao_types.F:38:29: 38 | SUBROUTINE create_mao_type(mao_env) | ^ Warning: 'create_mao_type' defined but not used [-Wunused-function] -/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="\"Sun Apr 13 06:25:53 +14 2025\"" -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/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] -/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 -/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="\"Fri May 15 10:03:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -/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/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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -/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/whittaker.F:111:26: - - 111 | SUBROUTINE whittaker_c0(wc, r, expa, erfa, alpha, l, n) - | ^ -Warning: 'whittaker_c0' 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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/common/callgraph.F:17:6: - - 17 | #:call hash_map(prefix='callgraph', & - | ^ -Warning: 'callgraph_isready' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/callgraph.F:17:30: - - 17 | #:call hash_map(prefix='callgraph', & - | ^ -Warning: 'callgraph_del' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/callgraph.F:17:33: - - 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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/common/d3_poly.F:235:3: - - 235 | PURE FUNCTION mono_index1(i) RESULT(res) - | ^ -Warning: 'mono_index1' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:281:3: - - 281 | PURE FUNCTION mono_exp1(ii) RESULT(res) - | ^ -Warning: 'mono_exp1' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:332:3: - - 332 | PURE FUNCTION mono_mult1(ii, ij) RESULT(res) - | ^ -Warning: 'mono_mult1' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:345:3: - - 345 | PURE FUNCTION mono_mult2(ii, ij) RESULT(res) - | ^ -Warning: 'mono_mult2' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:361:3: - - 361 | PURE FUNCTION mono_mult3(ii, ij) RESULT(res) - | ^ -Warning: 'mono_mult3' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:379:24: - - 379 | SUBROUTINE poly_mult1(p1, p2, pRes, np1, sumUp) - | ^ -Warning: 'poly_mult1' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:424:24: - - 424 | SUBROUTINE poly_mult2(p1, p2, pRes, np1, sumUp) - | ^ -Warning: 'poly_mult2' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:502:24: - - 502 | SUBROUTINE poly_mult3(p1, p2, pRes, np1, sumUp) - | ^ -Warning: 'poly_mult3' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:736:25: - - 736 | SUBROUTINE poly_write1(p, out_f) - | ^ -Warning: 'poly_write1' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:760:25: - - 760 | SUBROUTINE poly_write2(p, out_f) - | ^ -Warning: 'poly_write2' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:788:25: - - 788 | SUBROUTINE poly_write3(p, out_f) - | ^ -Warning: 'poly_write3' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:820:3: - - 820 | FUNCTION poly_random(p, maxSize, minSize) RESULT(res) - | ^ -Warning: 'poly_random' 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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1173:26: - - 1173 | SUBROUTINE poly_p_eval3(p, x, pRes, npoly) - | ^ -Warning: 'poly_p_eval3' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1277:31: - - 1277 | SUBROUTINE poly_padd_uneval3(p, x, pRes, npoly) - | ^ -Warning: 'poly_padd_uneval3' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1380:26: - - 1380 | SUBROUTINE poly_p_eval2(p, x, pRes, npoly) - | ^ -Warning: 'poly_p_eval2' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1479:31: - - 1479 | SUBROUTINE poly_padd_uneval2(p, x, pRes, npoly) - | ^ -Warning: 'poly_padd_uneval2' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1577:24: - - 1577 | SUBROUTINE poly_eval1(p, x, pRes, npoly) - | ^ -Warning: 'poly_eval1' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1611:24: - - 1611 | SUBROUTINE poly_eval2(p, x, y, pRes, npoly) - | ^ -Warning: 'poly_eval2' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1678:24: - - 1678 | SUBROUTINE poly_eval3(p, x, y, z, pRes, npoly) - | ^ -Warning: 'poly_eval3' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/d3_poly.F:1751:26: - - 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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 '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 '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 -/build/reproducible-path/cp2k-2025.1/src/common/eigenvalueproblems.F:146:25: - - 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:180:25: - - 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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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/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/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/src/common/routine_map.F:16:6: - - 16 | #:call hash_map(prefix='routine_map', & - | ^ -Warning: 'routine_map_isready' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/routine_map.F:16:32: +/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/src/minimax/minimax_exp_gw.F:79:10: - 16 | #:call hash_map(prefix='routine_map', & - | ^ -Warning: 'routine_map_del' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/common/routine_map.F:16:35: + 79 | 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_exp_gw.F:45:67: - 16 | #:call hash_map(prefix='routine_map', & - | ^ -Warning: 'routine_map_update' defined but not used [-Wunused-function] -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 '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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 -/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 + 45 | REAL(KIND=dp) :: E_ratio + | ^ +note: 'e_ratio' was declared here +/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 'callgraph.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:53 +14 2025\"" -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: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 'structure_factor_types.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/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:52 +14 2025\"" -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/Makefile:560: update target 'offload_api.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 'spherical_harmonics.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 +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 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_api.mod' due to: target does not exist true +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a offload_api.o offload_library.o offload_buffer.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2koffload.a /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/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" Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a 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/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 ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbx.a -/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/src/common/splines.F:261:27: - - 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="\"Fri May 15 10:03:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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: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" -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'damping_dipole_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kahan_sum.mod' due to: kahan_sum.o true -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_integrate.o grid_cpu_collocate.o grid_cpu_task_list.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="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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:560: update target 'cp_parser_buffer_types.mod' due to: target does not exist true /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 -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 '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/src/common/routine_map.F:16:34: - - 16 | #:call hash_map(prefix='routine_map', & - | ^ -Warning: 'value' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/routine_map.F:16:74: - - 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="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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 'damping_dipole_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="\"Sun Apr 13 06:25:54 +14 2025\"" -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="\"Sun Apr 13 06:25:54 +14 2025\"" -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 'shell_potential_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="\"Sun Apr 13 06:25:54 +14 2025\"" -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:560: update target 'force_field_kind_types.mod' due to: target does not exist true /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/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:560: update target 'virial_types.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/pw/fft/fftw3_lib.F:99:45: + + 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 'cp_dlaf_utils_api.mod' due to: target does not exist true -/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/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/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_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 /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/src/common/gamma.F:281:22: +/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_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:1249:99: - 281 | SUBROUTINE fgamma_1(nmax, t, f) - | ^ -Warning: 'fgamma_1' defined but not used [-Wunused-function] + 1249 | IF (scale /= 1.0_dp) CALL zdscal(plan%n*num_rows, scale, zout(scal_offset:scal_offset), 1) + | ^ +Warning: 'num_rows' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/fft/fftw3_lib.F:1202:86: + + 1202 | INTEGER :: in_offset, my_id, num_rows, out_offset, & + | ^ +note: 'num_rows' was declared here +/build/reproducible-path/cp2k-2025.1/src/pw/fft/fftw3_lib.F:1203:71: + + 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="\"Sun Apr 13 06:25:54 +14 2025\"" -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 +/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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:54 +14 2025\"" -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 /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_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/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 '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="\"Sun Apr 13 06:25:54 +14 2025\"" -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/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:54 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:54 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:54 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:54 +14 2025\"" -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 +/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/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:10129:67: + +10129 | REAL(KIND=dp) :: E_ratio + | ^ +note: 'e_ratio' was declared here +/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 'ps_wavelet_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bessel_lib.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="\"Sun Apr 13 06:25:54 +14 2025\"" -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 +/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/src/common/lebedev.F:146:42: - - 146 | END FUNCTION get_number_of_lebedev_grid - | ^ -Warning: 'number_of_lebedev_grid' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/lebedev.F:113:75: - - 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 'lazy.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:25:55 +14 2025\"" -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 'graph_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_energy_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'exclusion_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="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'splines_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'deepmd_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="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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 'qs_dftb_types.mod' due to: target does not exist true /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="\"Sun Apr 13 06:25:56 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_mpole_types.mod' due to: target does not exist true /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 '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 @@ -2542,18 +2778,6 @@ 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/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:10129:67: - -10129 | REAL(KIND=dp) :: E_ratio - | ^ -note: 'e_ratio' was declared here -/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 @@ -2564,12 +2788,22 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'hartree_local_types.o' 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_types.F hartree_local_types.F90 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:56 +14 2025\"" -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 'xc_rho_cflags_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'integration_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="\"Sun Apr 13 06:25:57 +14 2025\"" -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:513: update target 'local_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/local_gemm_api.F local_gemm_api.F90 +/build/reproducible-path/cp2k-2025.1/src/hfxbase/hfx_compression_core_methods.F:67:23: + + 67 | SUBROUTINE ints2ints(Ndata, packed_data, full_data) + | ^ +Warning: 'ints2ints' defined but not used [-Wunused-function] /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mscfg_types.o' 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_types.F 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="\"Sun Apr 13 06:25:57 +14 2025\"" -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:560: update target 'qs_charges_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_trial_fns_types.mod' due to: target does not exist @@ -2580,368 +2814,55 @@ 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 'string_table.mod' due to: target does not exist +/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/src/common/spherical_harmonics.F:1465:25: +/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/src/aobasis/ai_coulomb.F:1839:75: - 1465 | END FUNCTION dlegendre - | ^ -Warning: 'dplm' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/spherical_harmonics.F:1336:43: + 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:824:68: - 1336 | FUNCTION dlegendre(x, l, m) RESULT(dplm) - | ^ -note: 'dplm' was declared here -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:498:38: + 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: - 498 | IF (PRESENT(ibegin)) ibegin = ib - | ^ -Warning: 'ib' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:473:62: + 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:824:68: - 473 | INTEGER :: ib, in, j, lstr - | ^ -note: 'ib' was declared here -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:499:36: + 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: - 499 | IF (PRESENT(inext)) inext = in - | ^ -Warning: 'in' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/fparser.F:473:66: + 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:824:68: - 473 | INTEGER :: ib, in, j, lstr - | ^ -note: 'in' was declared here -/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/Makefile:560: update target 'cp_min_heap.mod' due to: target does not exist -true + 824 | REAL(KIND=dp), DIMENSION(3) :: rap, rbp, rcp, rcw, rpw + | ^ +note: 'rbp[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="\"Sun Apr 13 06:25:57 +14 2025\"" -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="\"Sun Apr 13 06:25:57 +14 2025\"" -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 '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="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:59 +14 2025\"" -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 '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 'ai_contraction.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'qs_hash_table_functions.mod' due to: target does not exist -true -/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 'eeq_data.mod' due to: target does not exist -true -/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 'eigenvalueproblems.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'uff_vdw_radii_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="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'qs_fb_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="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'hdf5_wrapper.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gaussian_data.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'farming_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 -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 'cp_iter_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="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'mp_perf_env.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/src/qs_fb_hash_table_types.F:323:34: - - 323 | SUBROUTINE fb_hash_table_remove(hash_table, key) - | ^ -Warning: 'fb_hash_table_remove' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_fb_hash_table_types.F:359:34: - - 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 '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 'lebedev.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 'structure_factor_types.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/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:1669:27: - - 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:1669:37: - - 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 '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 -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 '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 -/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: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:560: update target 'cp_parser_status_types.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:988:68: - - 988 | hh, xval - | ^ -note: 'xval' was declared here -/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 -/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 'ps_wavelet_fft3d.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 'minimax_exp_k53.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 'hartree_local_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="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'local_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/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: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:560: update target 'ai_contraction_sphi.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 -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 'qs_fb_hash_table_types.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 -/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 -/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 -/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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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: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 'libint_wrapper.mod' due to: target does not exist -true -/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="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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:560: update target 'mscfg_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_scaling_function.F:92:30: - - 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:196:23: - - 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:296:19: - - 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 '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="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'pw_fpga.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_eri_debug.F:56:21: - - 56 | SUBROUTINE init_os(ya, yb, yc, yd, rA, rB, rC, rD) - | ^ -Warning: 'init_os' 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="\"Fri May 15 10:03:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'arnoldi_geev.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/pw/fft/fftw3_lib.F:99:45: - - 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/src/hfxbase/hfx_compression_core_methods.F:67:23: - - 67 | SUBROUTINE ints2ints(Ndata, packed_data, full_data) - | ^ -Warning: 'ints2ints' defined but not used [-Wunused-function] -/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 -/build/reproducible-path/cp2k-2025.1/src/qs_fb_matrix_data_types.F:137:38: - - 137 | SUBROUTINE fb_matrix_data_associate(a, b) - | ^ -Warning: 'fb_matrix_data_associate' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_fb_matrix_data_types.F:299:35: - - 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/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) - | ^ -Warning: 'num_rows' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/fft/fftw3_lib.F:1202:86: - - 1202 | INTEGER :: in_offset, my_id, num_rows, out_offset, & - | ^ -note: 'num_rows' was declared here -/build/reproducible-path/cp2k-2025.1/src/pw/fft/fftw3_lib.F:1203:71: - - 1203 | scal_offset - | ^ -Warning: 'scal_offset' may be used uninitialized [-Wmaybe-uninitialized] -/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:560: update target 'local_gemm_api.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 'fermi_utils.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_scaling_function.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 -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'spherical_harmonics.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:560: update target 'ai_derivatives.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 -/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="\"Fri May 15 10:03:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'minimax_exp_k15.mod' due to: target does not exist -true /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) @@ -3022,283 +2943,130 @@ 135 | REAL(KIND=dp), DIMENSION(:, :, :, :), POINTER :: sda, sdc | ^ note: 'sdc.offset' was declared here -/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 'arnoldi_geev.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 +/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/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: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 'libgrpp_integrals.mod' due to: target does not exist +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:25:59 +14 2025\"" -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:560: update target 'ai_contraction_sphi.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'util.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eeq_data.mod' due to: target does not exist true -/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 'negf_alloc_types.mod' due to: target does not exist true -/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/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="\"Fri May 15 10:03:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'mol_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="\"Sun Apr 13 06:25:59 +14 2025\"" -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 'ai_fermi_contact.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:21 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:21 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:21 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:21 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'list_timerenv.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'uff_vdw_radii_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="\"Fri May 15 10:03:21 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/src/xc/xc_derivative_desc.F:97:26: - - 97 | END FUNCTION desc_to_id - | ^ -Warning: 'id' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_derivative_desc.F:64:39: - - 64 | FUNCTION desc_to_id(desc) RESULT(id) - | ^ -note: 'id' was declared here -/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 'qs_fb_buffer_types.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:824:68: - - 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:824:68: - - 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:824:68: - - 824 | REAL(KIND=dp), DIMENSION(3) :: rap, rbp, rcp, rcw, rpw - | ^ -note: 'rbp[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="\"Fri May 15 10:03:21 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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/src/mpiwrap/message_passing.F:4266:31: - - 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:1826:23: - - 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:2364:28: - - 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:2413:32: - - 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:1826:23: - - 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 '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_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_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:560: update target 'xc_derivative_desc.mod' due to: target does not exist +/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 'wannier90.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:21 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:21 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:21 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:21 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/qs_neighbor_list_types.F:331:28: - - 331 | iterator%ilist = ilist - | ^ -Warning: 'ilist' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:293:72: - - 293 | INTEGER :: i, ij, ilist, me, nlist, nnode - | ^ -note: 'ilist' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:332:28: - - 332 | iterator%nlist = nlist - | ^ -Warning: 'nlist' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:293:83: - - 293 | INTEGER :: i, ij, ilist, me, nlist, nnode - | ^ -note: 'nlist' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:339:45: - - 339 | iterator%neighbor_list => neighbor_list - | ^ -Warning: 'neighbor_list' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:296:73: - - 296 | TYPE(neighbor_list_type), POINTER :: neighbor_list - | ^ -note: 'neighbor_list' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:334:28: - - 334 | iterator%nnode = nnode - | ^ -Warning: 'nnode' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:293:90: - - 293 | INTEGER :: i, ij, ilist, me, nlist, nnode - | ^ -note: 'nnode' 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 'minimax_exp_gw.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 'ai_overlap_aabb.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="\"Sun Apr 13 06:26:00 +14 2025\"" -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 'minimax_rpa.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:227:61: +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hdf5_wrapper.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/qs_fb_hash_table_types.F:323:34: - 227 | list_search(il)%atom_list(ilist) = iatom - | ^ -Warning: 'iatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:172:65: + 323 | SUBROUTINE fb_hash_table_remove(hash_table, key) + | ^ +Warning: 'fb_hash_table_remove' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_fb_hash_table_types.F:359:34: - 172 | INTEGER :: iatom, il, ilist, mthread, nlist - | ^ -note: 'iatom' 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="\"Fri May 15 10:03:21 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'list.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 'dbt_tas_util.mod' due to: target does not exist + 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 'qmmm_gaussian_data.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 'mdctrl_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="\"Fri May 15 10:03:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'ai_spin_orbit.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'farming_types.mod' due to: target does not exist true -/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 'negf_integr_utils.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="\"Fri May 15 10:03:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_operator_ra2m.mod' due to: target does not exist +/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 'qs_gcp_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_tree_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="\"Fri May 15 10:03:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'ai_kinetic.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_move_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="\"Fri May 15 10:03:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'construct_shg.mod' due to: target does not exist +/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: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 +/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 +/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 '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="\"Sun Apr 13 06:26:00 +14 2025\"" -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 +/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 +/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:560: update target 'ai_angmom.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="\"Sun Apr 13 06:26:00 +14 2025\"" -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="\"Sun Apr 13 06:26:00 +14 2025\"" -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 +/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:560: update target 'dbt_tas_global.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="\"Sun Apr 13 06:26:00 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fftw3_lib.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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_fpga.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mltfftsg_tools.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="\"Sun Apr 13 06:26:00 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_parser_status_types.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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_nl_hash_table_types.mod' due to: target does not exist +/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 +/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:560: update target 'ai_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="\"Fri May 15 10:03:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'ai_verfc.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="\"Sun Apr 13 06:26:00 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_os_rr.mod' due to: target does not exist true -/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: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: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="\"Sun Apr 13 06:26:01 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:01 +14 2025\"" -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 +/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 'dbt_array_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="\"Sun Apr 13 06:26:01 +14 2025\"" -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 'qs_grid_atom.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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'graphcon.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="\"Sun Apr 13 06:26:01 +14 2025\"" -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 'powell.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/common/mathlib.F:141:23: +/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_scaling_function.F:92:30: - 141 | END FUNCTION pswitch + 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:196:23: + + 196 | SUBROUTINE for_trans(nd, nt, x, y, m, cgt, cht) | ^ -Warning: 'fx' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/mathlib.F:98:46: +Warning: 'for_trans' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_scaling_function.F:296:19: - 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_overlap3.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fft_lib.mod' due to: target does not exist + 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 'libint_wrapper.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" -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_grid_atom.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hartree_local_types.mod' due to: target does not exist true -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 fftw3_lib.o fft_kinds.o fftsg_lib.o fft_plan.o fft_lib.o mltfftsg_tools.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kfft.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="\"Fri May 15 10:03:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/aobasis/orbital_transformation_matrices.F:515:22: 515 | END FUNCTION p_func @@ -3309,8 +3077,54 @@ 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 'ai_elec_field.mod' due to: target does not exist +/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 +/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 'mscfg_types.mod' due to: target does not exist +true +/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 '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 +true +/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 '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 's_contract_shg.mod' due to: target does not exist +true +/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 'qs_fb_hash_table_types.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 +/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="\"Sun Apr 13 06:26:01 +14 2025\"" -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:560: update target 'timings_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="\"Sun Apr 13 06:26:01 +14 2025\"" -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/src/aobasis/orbital_transformation_matrices.F:383:52: 383 | orbrotmat(2)%mat(1:5, 1:5) = r2(-2:2, -2:2) @@ -3411,13 +3225,207 @@ 419 | FUNCTION u_func(l, ma, mb) RESULT(u) | ^ note: 'u' was declared here -/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: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="\"Sun Apr 13 06:26:01 +14 2025\"" -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 'ao_util.mod' due to: target does not exist +true +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:02 +14 2025\"" -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 '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="\"Sun Apr 13 06:26:02 +14 2025\"" -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 +/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 'ai_oneelectron.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:02 +14 2025\"" -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="\"Sun Apr 13 06:26:02 +14 2025\"" -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 +/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: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 'structure_factors.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:02 +14 2025\"" -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 'mol_force.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 +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: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/mpiwrap/message_passing.F:4266:31: + + 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:1826:23: + + 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:2364:28: + + 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:2413:32: + + 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:1826:23: + + 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:560: update target 'util.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:03 +14 2025\"" -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/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/src/qs_fb_matrix_data_types.F:137:38: + + 137 | SUBROUTINE fb_matrix_data_associate(a, b) + | ^ +Warning: 'fb_matrix_data_associate' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_fb_matrix_data_types.F:299:35: + + 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 'dbt_index.mod' due to: target does not exist +true +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:03 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fftsg_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="\"Sun Apr 13 06:26:03 +14 2025\"" -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 'orbital_transformation_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="\"Sun Apr 13 06:26:03 +14 2025\"" -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_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: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/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="\"Sun Apr 13 06:26:04 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:04 +14 2025\"" -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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:05 +14 2025\"" -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:560: update target 'ai_kinetic.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:06 +14 2025\"" -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:560: update target 'ai_overlap3.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/xc/xc_derivative_desc.F:97:26: + + 97 | END FUNCTION desc_to_id + | ^ +Warning: 'id' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_derivative_desc.F:64:39: + + 64 | FUNCTION desc_to_id(desc) RESULT(id) + | ^ +note: 'id' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_elec_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="\"Sun Apr 13 06:26:06 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:331:28: + + 331 | iterator%ilist = ilist + | ^ +Warning: 'ilist' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:293:72: + + 293 | INTEGER :: i, ij, ilist, me, nlist, nnode + | ^ +note: 'ilist' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:332:28: + + 332 | iterator%nlist = nlist + | ^ +Warning: 'nlist' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:293:83: + + 293 | INTEGER :: i, ij, ilist, me, nlist, nnode + | ^ +note: 'nlist' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:339:45: + + 339 | iterator%neighbor_list => neighbor_list + | ^ +Warning: 'neighbor_list' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:296:73: + + 296 | TYPE(neighbor_list_type), POINTER :: neighbor_list + | ^ +note: 'neighbor_list' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:334:28: + + 334 | iterator%nnode = nnode + | ^ +Warning: 'nnode' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:293:90: + + 293 | INTEGER :: i, ij, ilist, me, nlist, nnode + | ^ +note: 'nnode' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_spin_orbit.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:227:61: + + 227 | list_search(il)%atom_list(ilist) = iatom + | ^ +Warning: 'iatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_list_types.F:172:65: + + 172 | INTEGER :: iatom, il, ilist, mthread, nlist + | ^ +note: 'iatom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_matrix_data_types.mod' due to: target does not exist +true +/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 'list_timerenv.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 'dbt_tas_util.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 /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Sun Apr 13 06:26:06 +14 2025\"" -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="\"Sun Apr 13 06:26:06 +14 2025\"" -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:560: update target 'xc_derivative_desc.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:07 +14 2025\"" -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: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/src/aobasis/ai_overlap.F:1364:26: 1364 | SUBROUTINE overlap_aaab(la1_max, la1_min, npgfa1, rpgfa1, zeta1, & @@ -3433,14 +3441,56 @@ 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: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_overlap_ppl.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:07 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'construct_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="\"Sun Apr 13 06:26:07 +14 2025\"" -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 +/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 'dbt_tas_global.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fft_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="\"Sun Apr 13 06:26:07 +14 2025\"" -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:560: update target 'ai_coulomb.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" +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gcp_types.mod' due to: target does not exist +true +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 mltfftsg_tools.o fft_kinds.o fft_plan.o fftsg_lib.o fft_lib.o fftw3_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 'qs_nl_hash_table_types.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 +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: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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:08 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:08 +14 2025\"" -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_coulomb_test.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 /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: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="\"Fri May 15 10:03:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:09 +14 2025\"" -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="\"Sun Apr 13 06:26:09 +14 2025\"" -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/Makefile:560: update target 'graphcon.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 @@ -3451,48 +3501,20 @@ 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 'pair_potential_util.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 '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="\"Fri May 15 10:03:25 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:03:25 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ai_coulomb_test.mod' due to: target does not exist +/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 'molsym.mod' due to: target does not exist true -/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 '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 '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="\"Fri May 15 10:03:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:26:23 +14 2025\"" -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="\"Sun Apr 13 06:26:23 +14 2025\"" -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:46:36: 46 | SUBROUTINE overlap_ab_test_simple() @@ -3508,10 +3530,47 @@ 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 'debug_os_integrals.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:1066:46: + + 1066 | s(1, 1, l) = rpc(i)*s(1, 1, l1) + | ^ +Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:995:85: + + 995 | INTEGER :: ax, ay, az, bx, by, bz, i, ipgf, j, & + | ^ +note: 'i' was declared here +/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:1066:46: + + 1066 | s(1, 1, l) = rpc(i)*s(1, 1, l1) + | ^ +Warning: 'l1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:996:74: + + 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="\"Sun Apr 13 06:26:26 +14 2025\"" -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="\"Sun Apr 13 06:26:26 +14 2025\"" -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="\"Sun Apr 13 06:26:26 +14 2025\"" -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="\"Sun Apr 13 06:26:26 +14 2025\"" -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/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="\"Sun Apr 13 06:26:26 +14 2025\"" -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 @@ -3522,16 +3581,15 @@ 804 | FUNCTION next_real(self, variance) RESULT(u) | ^ note: 'u' 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="\"Fri May 15 10:03:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'debug_os_integrals.mod' due to: target does not exist -true /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="\"Fri May 15 10:03:29 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:29 +14 2025\"" -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/Makefile:560: update target 'csvr_system_utils.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/kpsym.F:1860:91: 1860 | origin(imissing2)*r(ionly, imissing2, ib(ir))) @@ -3542,28 +3600,6 @@ 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 -true -/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:1066:46: - - 1066 | s(1, 1, l) = rpc(i)*s(1, 1, l1) - | ^ -Warning: 'i' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:995:85: - - 995 | INTEGER :: ax, ay, az, bx, by, bz, i, ipgf, j, & - | ^ -note: 'i' was declared here -/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:1066:46: - - 1066 | s(1, 1, l) = rpc(i)*s(1, 1, l1) - | ^ -Warning: 'l1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/aobasis/ai_moments.F:996:74: - - 996 | jpgf, k, l, l1, l2, la, la_start, lb, & - | ^ -note: 'l1' was declared here /build/reproducible-path/cp2k-2025.1/src/kpsym.F:2263:89: 2263 | iremov, iwvk, j, jplace, k, n, nplane @@ -3573,21 +3609,293 @@ 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="\"Fri May 15 10:03:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:36 +14 2025\"" -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 'message_passing.mod' due to: target does not exist +true +/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 '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 '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 '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 '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 '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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:50 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:50 +14 2025\"" -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 '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="\"Sun Apr 13 06:26:50 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:50 +14 2025\"" -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="\"Sun Apr 13 06:26:50 +14 2025\"" -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 '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 +/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="\"Sun Apr 13 06:26:50 +14 2025\"" -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="\"Sun Apr 13 06:26:50 +14 2025\"" -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 '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="\"Sun Apr 13 06:26:50 +14 2025\"" -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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:50 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:50 +14 2025\"" -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="\"Sun Apr 13 06:26:50 +14 2025\"" -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 +/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="\"Sun Apr 13 06:26:50 +14 2025\"" -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 '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 +/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 +/build/reproducible-path/cp2k-2025.1/src/dbm/dbm_api.F:1335:44: + + 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] +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:51 +14 2025\"" -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 +/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="\"Sun Apr 13 06:26:51 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:51 +14 2025\"" -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 +/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="\"Sun Apr 13 06:26:51 +14 2025\"" -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 +/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 +/build/reproducible-path/cp2k-2025.1/src/common/cp_result_methods.F:267:50: + + 267 | IF (PRESENT(n_entries)) n_entries = size_res + | ^ +Warning: 'size_res' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/cp_result_methods.F:239:87: + + 239 | INTEGER :: i, k, nlist, nrep, size_res, size_values + | ^ +note: 'size_res' was declared here +/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="\"Sun Apr 13 06:26:51 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/common/cp_result_methods.F:194:50: + + 194 | IF (PRESENT(n_entries)) n_entries = size_res + | ^ +Warning: 'size_res' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/common/cp_result_methods.F:166:87: + + 166 | 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="\"Sun Apr 13 06:26:51 +14 2025\"" -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 +/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 +/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 +/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:560: update target 'cp_log_handling.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbm_api.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:51 +14 2025\"" -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="\"Sun Apr 13 06:26:51 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:52 +14 2025\"" -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 +/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/src/pw/ps_wavelet_base.F:2106:31: + + 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_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="\"Sun Apr 13 06:26:52 +14 2025\"" -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 '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 +/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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_blacs_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="\"Sun Apr 13 06:26:52 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:52 +14 2025\"" -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:560: update target 't_c_g0.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/dbcsrx/dbcsr_vector.F:670:44: + + 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_d' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/dbcsrx/dbcsr_vector.F:670:44: + + 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: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:560: update target 'domain_submatrix_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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:52 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/qs_fb_com_tasks_types.F:218:36: + + 218 | SUBROUTINE fb_com_tasks_associate(a, b) + | ^ +Warning: 'fb_com_tasks_associate' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_fb_com_tasks_types.F:231:41: + + 231 | SUBROUTINE fb_com_atom_pairs_associate(a, b) + | ^ +Warning: 'fb_com_atom_pairs_associate' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_fb_com_tasks_types.F:245:3: + + 245 | FUNCTION fb_com_tasks_has_data(com_tasks) RESULT(res) + | ^ +Warning: 'fb_com_tasks_has_data' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_fb_com_tasks_types.F:305:31: + + 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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:52 +14 2025\"" -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 '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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_result_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="\"Sun Apr 13 06:26:52 +14 2025\"" -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 'timings_report.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_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="\"Sun Apr 13 06:26:52 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'submatrix_types.mod' due to: target does not exist +true +/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 +/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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'group_dist_types.mod' due to: target does not exist +true +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:52 +14 2025\"" -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 'dgemm_counter_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="\"Sun Apr 13 06:26:53 +14 2025\"" -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 +/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: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" +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_k15.o minimax_exp_gw.o minimax_exp.o minimax_exp_k53.o minimax_rpa.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a +/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: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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:53 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:53 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:53 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:53 +14 2025\"" -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 '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 '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="\"Sun Apr 13 06:26:53 +14 2025\"" -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 '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 +/build/reproducible-path/cp2k-2025.1/src/domain_submatrix_methods.F:770:31: + + 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="\"Sun Apr 13 06:26:53 +14 2025\"" -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 'input_enumeration_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="\"Sun Apr 13 06:26:53 +14 2025\"" -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/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 'cp_parser_ilist_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/common/cp_array_utils.F:195:45: + + 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/src/common/cp_array_utils.F:195:45: + + 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/src/common/cp_array_utils.F:195:45: + + 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/src/common/cp_array_utils.F:195:45: + + 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 '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:560: update target 'graph_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="\"Sun Apr 13 06:26:53 +14 2025\"" -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 /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_utils.o graph_methods.o +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:560: update target 'minimax_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="\"Sun Apr 13 06:26:53 +14 2025\"" -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 'splines_methods.mod' due to: target does not exist +true +/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/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 'cp_parser_inpp_methods.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 -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmetadyn_tools.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="\"Fri May 15 10:03:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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 +/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="\"Sun Apr 13 06:26:56 +14 2025\"" -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//"." @@ -3598,6 +3906,27 @@ 660 | out3 = out1//"." | 1 Warning: CHARACTER expression will be truncated in assignment (80/81) 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="\"Sun Apr 13 06:26:56 +14 2025\"" -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="\"Sun Apr 13 06:26:56 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_error_handling.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 'cg_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/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_api.o dbm_tests.o dbm_distribution.o dbm_multiply_cpu.o dbm_library.o dbm_matrix.o dbm_multiply_comm.o dbm_mpi.o dbm_mempool.o dbm_multiply.o dbm_multiply_opencl.o dbm_multiply_gpu.o dbm_shard.o +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_types.mod' due to: target does not exist +true +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.a +/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:560: update target 'ls_matrix_exp.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/src/metadyn_tools/graph.F:412:12: 412 | i_map = 0 @@ -3748,323 +4077,44 @@ 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 '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 '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 '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 '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 '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 '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 -/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 -/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 -/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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -/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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 -/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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'arnoldi_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/dbm/dbm_api.F:1335:44: - - 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/src/pw/ps_wavelet_base.F:2106:31: - - 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 'dgemm_counter_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/src/dbcsrx/dbcsr_vector.F:670:44: - - 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_d' defined but not used [-Wunused-function] -/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/src/dbcsrx/dbcsr_vector.F:670:44: - - 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: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 '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 '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 '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 -/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 -/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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_blacs_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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -/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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/src/qs_fb_com_tasks_types.F:218:36: - - 218 | SUBROUTINE fb_com_tasks_associate(a, b) - | ^ -Warning: 'fb_com_tasks_associate' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_fb_com_tasks_types.F:231:41: - - 231 | SUBROUTINE fb_com_atom_pairs_associate(a, b) - | ^ -Warning: 'fb_com_atom_pairs_associate' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_fb_com_tasks_types.F:245:3: - - 245 | FUNCTION fb_com_tasks_has_data(com_tasks) RESULT(res) - | ^ -Warning: 'fb_com_tasks_has_data' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_fb_com_tasks_types.F:305:31: - - 305 | SUBROUTINE fb_com_tasks_init(com_tasks) - | ^ -Warning: 'fb_com_tasks_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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'pw_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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/common/cp_array_utils.F:195:45: - - 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/src/common/cp_array_utils.F:195:45: - - 195 | nRiga = cp_to_string(SIZE(array, 2)) - | 1 -Warning: CHARACTER expression will be truncated in assignment (10/25) 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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/src/common/cp_array_utils.F:195:45: - - 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:560: update target 'group_dist_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/common/cp_array_utils.F:195:45: - - 195 | nRiga = cp_to_string(SIZE(array, 2)) - | 1 -Warning: CHARACTER expression will be truncated in assignment (10/25) 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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'reference_manager.mod' due to: target does not exist -true -/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: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_result_methods.F:267:50: - - 267 | IF (PRESENT(n_entries)) n_entries = size_res - | ^ -Warning: 'size_res' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/cp_result_methods.F:239:87: - - 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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'dbm_api.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 -true -/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/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 -/build/reproducible-path/cp2k-2025.1/src/common/cp_result_methods.F:194:50: - - 194 | IF (PRESENT(n_entries)) n_entries = size_res - | ^ -Warning: 'size_res' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/common/cp_result_methods.F:166:87: - - 166 | INTEGER :: i, k, nlist, nrep, size_res, size_values - | ^ -note: 'size_res' was declared here -/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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'splines_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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'minimax_exp.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_error_handling.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" -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_rpa.o minimax_exp.o minimax_exp_gw.o minimax_exp_k15.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kminimax.a -/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 -/build/reproducible-path/cp2k-2025.1/src/domain_submatrix_methods.F:770:31: - - 770 | SUBROUTINE trace_submatrices(A, B, trace) - | ^ -Warning: 'trace_submatrices' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_result_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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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 'cg_test.mod' due to: target does not exist -true -/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: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 '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 'dbt_tas_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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'almo_scf_lbfgs_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="\"Fri May 15 10:03:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'qs_fb_com_tasks_types.mod' due to: target does not exist +/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" 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_test.o mp_perf_env.o message_passing.o -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp_perf_test.mod' due to: target does not exist -true 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 -/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 -/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:560: update target 'cp_array_utils.mod' due to: target does not exist -true +/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: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: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: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" -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbm_tests.mod' due to: target does not exist -true -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_multiply_opencl.o dbm_library.o dbm_multiply_gpu.o dbm_multiply.o dbm_mpi.o dbm_distribution.o dbm_shard.o dbm_matrix.o dbm_mempool.o dbm_multiply_comm.o dbm_multiply_cpu.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbm.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="\"Sun Apr 13 06:26:57 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:57 +14 2025\"" -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="\"Sun Apr 13 06:26:57 +14 2025\"" -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 'cp_units.mod' due to: target does not exist true -/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="\"Fri May 15 10:03:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:513: update target 'input_val_types.o' 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_val_types.F input_val_types.F90 +/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:1381:72: + + 1381 | INTEGER(KIND=int_8) :: iz8, object8 + | ^ +note: 'object8' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cell_types.o' 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/cell_types.F 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="\"Sun Apr 13 06:26:58 +14 2025\"" -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="\"Sun Apr 13 06:26:58 +14 2025\"" -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 '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/src/dbt/tas/dbt_tas_split.F:578:44: 578 | iproc = pcoord(1)*pdims(2) + pcoord(2) @@ -4105,48 +4155,24 @@ 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="\"Fri May 15 10:03:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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) - | ^ -Warning: 'pdim_split' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_split.F:341:85: - - 341 | pdim_nonsplit, pdim_split - | ^ -note: 'pdim_split' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_split.mod' due to: target does not exist +/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/src/input/cp_parser_methods.F:1421:33: +/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/Makefile:560: update target 'libint_2c_3c.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/pw/fft_tools.F:3230:62: - 1421 | object8 = object8*iz8 - | ^ -Warning: 'object8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/input/cp_parser_methods.F:1381:72: + 3230 | fft_scratch_last%fft_scratch%fft_scratch_id + 1 + | ^ +Warning: 'fft_scratch_last' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/fft_tools.F:2884:66: - 1381 | INTEGER(KIND=int_8) :: iz8, object8 - | ^ -note: 'object8' was declared here -/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/Makefile:560: update target 'ai_operators_r12.mod' due to: target does not exist + 2884 | fft_scratch_last, & + | ^ +note: 'fft_scratch_last' 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 '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: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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/input/cp_parser_methods.F:546:10: 546 | IF (length > 0) THEN @@ -4157,104 +4183,127 @@ 530 | INTEGER :: i, len_trim_inputline, length | ^ note: 'length' 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/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 -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 whittaker.o d3_poly.o cp_result_types.o physcon.o callgraph.o mathconstants.o eigenvalueproblems.o cg_test.o distribution_1d_types.o reference_manager.o bessel_lib.o list_callstackentry.o splines.o list_routinereport.o cp_units.o print_messages.o cp_array_sort.o lebedev.o structure_factors.o list_timerenv.o cp_files.o timings.o cp_result_methods.o timings_types.o timings_report.o util.o lapack.o kahan_sum.o memory_utilities.o routine_map.o string_utilities.o cp_log_handling.o gamma.o spherical_harmonics.o structure_factor_types.o powell.o timings_base_type.o t_sh_p_s_c.o cp_min_heap.o list.o linear_systems.o t_c_g0.o list_routinestat.o cp_iter_types.o mathlib.o parallel_rng_types.o string_table.o bibliography.o cp_array_utils.o fparser.o cp_error_handling.o periodic_table.o -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 '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/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) + | ^ +Warning: 'pdim_split' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_split.F:341:85: + + 341 | pdim_nonsplit, pdim_split + | ^ +note: 'pdim_split' was declared here /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:59 +14 2025\"" -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="\"Sun Apr 13 06:26:59 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_split.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:59 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:59 +14 2025\"" -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="\"Sun Apr 13 06:26:59 +14 2025\"" -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="\"Sun Apr 13 06:26:59 +14 2025\"" -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/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:26:59 +14 2025\"" -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 /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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/obj/Linux-x86_64-gfortran/psmp/all.dep:158: 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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:162: 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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/obj/Linux-x86_64-gfortran/psmp/all.dep:166: 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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'libint_2c_3c.mod' due to: target does not exist -true -/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:26:59 +14 2025\"" -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 +/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 'bibliography.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 -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/src/pw/fft_tools.F:3230:62: - - 3230 | fft_scratch_last%fft_scratch%fft_scratch_id + 1 - | ^ -Warning: 'fft_scratch_last' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/fft_tools.F:2884:66: - - 2884 | fft_scratch_last, & - | ^ -note: 'fft_scratch_last' was declared here +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 bibliography.o list_timerenv.o timings_types.o parallel_rng_types.o structure_factors.o list_routinestat.o cp_result_methods.o lapack.o cp_units.o t_c_g0.o timings_report.o string_table.o timings.o spherical_harmonics.o periodic_table.o eigenvalueproblems.o string_utilities.o cp_result_types.o gamma.o cp_log_handling.o bessel_lib.o timings_base_type.o d3_poly.o list_callstackentry.o cp_iter_types.o memory_utilities.o powell.o routine_map.o list_routinereport.o list.o physcon.o mathlib.o cg_test.o t_sh_p_s_c.o splines.o distribution_1d_types.o cp_array_sort.o util.o reference_manager.o linear_systems.o whittaker.o cp_array_utils.o cp_files.o callgraph.o lebedev.o structure_factor_types.o kahan_sum.o fparser.o mathconstants.o cp_error_handling.o print_messages.o cp_min_heap.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kcommon.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="\"Sun Apr 13 06:26:59 +14 2025\"" -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 /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:560: update target 'ps_wavelet_base.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="\"Sun Apr 13 06:26:59 +14 2025\"" -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: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="\"Sun Apr 13 06:26:59 +14 2025\"" -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:560: update target 'ct_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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:00 +14 2025\"" -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 '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: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:560: update target 'global_types.mod' due to: target does not exist +true +/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 '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="\"Sun Apr 13 06:27:00 +14 2025\"" -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: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/obj/Linux-x86_64-gfortran/psmp/all.dep:174: 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="\"Sun Apr 13 06:27:00 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:00 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:00 +14 2025\"" -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 +/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/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="\"Sun Apr 13 06:27:00 +14 2025\"" -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: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="\"Sun Apr 13 06:27:00 +14 2025\"" -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 /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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:00 +14 2025\"" -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: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 '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: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:560: update target 'global_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="\"Sun Apr 13 06:27:00 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_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="\"Sun Apr 13 06:27:00 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:00 +14 2025\"" -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 'subcell_types.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:560: update target 'cp_fm_struct.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/statistical_methods.F:440:19: + + 440 | SUBROUTINE tests(xdata, globenv) + | ^ +Warning: 'tests' 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="\"Sun Apr 13 06:27:00 +14 2025\"" -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: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: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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_base.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:01 +14 2025\"" -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/src/cryssym.F:479:42: 479 | csym%kplink(1, j) = itoj @@ -4265,89 +4314,56 @@ 383 | iq3, istriz, isy, itoj, j, kr, li, lr, & | ^ note: 'itoj' was declared here -/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: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/Makefile:560: update target 'pexsi_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:560: update target 'hfx_contract_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="\"Sun Apr 13 06:27:00 +14 2025\"" -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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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 'space_groups_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_data_methods.F:217:32: - - 217 | SUBROUTINE set_eval_selection(ar_data, itype) - | ^ -Warning: 'set_eval_selection' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_data_methods.F:326:39: - - 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/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/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: - - 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 'cp_fm_struct.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'fist_neighbor_list_types.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 -/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/Makefile:560: update target 'subcell_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/statistical_methods.F:440:19: - - 440 | SUBROUTINE tests(xdata, globenv) - | ^ -Warning: 'tests' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_util.F:154:15: +/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 +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/src/cp_external_control.F:216:53: - 154 | ELSE IF (istart + 1 <= nlim) THEN !this condition assures that we have perform good zero padding - | ^ -Warning: 'nlim' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_util.F:92:74: + 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:104:73: - 92 | nd2, nd3, nlim, nwb, nwbl, nwbr, nxc, & - | ^ -note: 'nlim' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ps_wavelet_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="\"Fri May 15 10:03:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:513: update target 'ps_wavelet_kernel.o' due to: target does not exist + 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/src/atom_upf.F:510:29: 510 | CPASSERT(ms <= m) | ^ Warning: 'm' may be used uninitialized [-Wmaybe-uninitialized] -/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/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="\"Sun Apr 13 06:27:01 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:06 +14 2025\"" -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 +/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="\"Sun Apr 13 06:27:06 +14 2025\"" -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 +/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/obj/Linux-x86_64-gfortran/psmp/all.dep:158: 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="\"Sun Apr 13 06:27:06 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_external_control.mod' due to: target does not exist +true +/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/src/almo_scf_diis_types.F:516:41: 516 | almo_scf_diis_error_overlap = trace @@ -4368,27 +4384,54 @@ 484 | REAL(KIND=dp) :: trace | ^ note: 'trace' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'distribution_2d_types.mod' due to: target does not exist -true -/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:217:32: - 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:104:73: + 217 | SUBROUTINE set_eval_selection(ar_data, itype) + | ^ +Warning: 'set_eval_selection' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_data_methods.F:326:39: - 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="\"Fri May 15 10:03:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'hfx_compression_core_methods.mod' due to: target does not exist + 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/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: + + 298 | FUNCTION get_selected_ritz_val(ar_data, ind) RESULT(eval_out) + | ^ +note: 'eval_out' 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 + | ^ +Warning: 'nlim' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/ps_wavelet_util.F:92:74: + + 92 | nd2, nd3, nlim, nwb, nwbl, nwbr, nxc, & + | ^ +note: 'nlim' was 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:560: update target 'cryssym.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 'atom_upf.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:560: update target 'ps_wavelet_util.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:09 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:09 +14 2025\"" -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:560: update target 'tmc_analysis_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 +true /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 @@ -4399,20 +4442,13 @@ 230 | REAL(KIND=dp) :: trace0 | ^ note: 'trace0' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'statistical_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="\"Sun Apr 13 06:27:09 +14 2025\"" -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/Makefile:560: update target 'almo_scf_types.mod' due to: target does not exist true -/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 'cryssym.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 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/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/src/swarm/swarm_message.F:822:33: 822 | arr(i) = ICHAR(str(i:i)) @@ -4423,11 +4459,11 @@ 237 | TYPE(message_entry_type), POINTER :: curr_entry | ^ note: 'curr_entry' 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="\"Fri May 15 10:03:42 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:42 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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 'almo_scf_diis_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf_types.mod' due to: target does not exist +/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 'swarm_message.mod' due to: target does not exist true @@ -4435,9 +4471,7 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_section_types.o' 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_section_types.F input_section_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_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="\"Fri May 15 10:03:42 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:27:10 +14 2025\"" -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) @@ -4458,6 +4492,10 @@ 1253 | LOGICAL :: docol | ^ note: 'docol' was declared here +/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:1119:57: 1119 | ic_max_vec(mepos) = col_indices(ic_max_local) @@ -4478,49 +4516,21 @@ 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 'ps_wavelet_kernel.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="\"Sun Apr 13 06:27:12 +14 2025\"" -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 'hfx_compression_core_methods.mod' due to: target does not exist true /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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'cp_fm_types.mod' due to: target does not exist +/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: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_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_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_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="\"Fri May 15 10:03:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'input_section_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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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/Makefile:513: update target 'extended_system_types.o' due to: target does not exist @@ -4533,342 +4543,209 @@ /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="\"Sun Apr 13 06:27:16 +14 2025\"" -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 /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:16 +14 2025\"" -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 '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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:27:16 +14 2025\"" -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 /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="\"Sun Apr 13 06:27:16 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:16 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:16 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:16 +14 2025\"" -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/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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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="\"Sun Apr 13 06:27:16 +14 2025\"" -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="\"Sun Apr 13 06:27:16 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:16 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:16 +14 2025\"" -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="\"Sun Apr 13 06:27:16 +14 2025\"" -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 /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="\"Sun Apr 13 06:27:16 +14 2025\"" -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/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="\"Sun Apr 13 06:27:16 +14 2025\"" -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/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="\"Sun Apr 13 06:27:16 +14 2025\"" -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 '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 +/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="\"Sun Apr 13 06:27:16 +14 2025\"" -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 +/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/src/dbt/tas/dbt_tas_mm.F:1044:48: + + 1044 | nsplit_prv = INT((d1 - 1)/d2 + 1) + | ^ +Warning: 'd1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:922:62: + + 922 | INTEGER(KIND=int_8) :: d1, d2, nze1, nze2 + | ^ +note: 'd1' was declared here +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:1044:48: + + 1044 | nsplit_prv = INT((d1 - 1)/d2 + 1) + | ^ +Warning: 'd2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:922:66: + + 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="\"Sun Apr 13 06:27:16 +14 2025\"" -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/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="\"Sun Apr 13 06:27:16 +14 2025\"" -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 '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="\"Sun Apr 13 06:27:16 +14 2025\"" -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 '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/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="\"Sun Apr 13 06:27:17 +14 2025\"" -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="\"Sun Apr 13 06:27:17 +14 2025\"" -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 /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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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))) + | ^ +Warning: 'max_nze' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:1490:67: + + 1490 | INTEGER(KIND=int_8) :: max_nze, min_nze + | ^ +note: 'max_nze' was declared here +/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))) + | ^ +Warning: 'min_nze' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:1490:76: + + 1490 | INTEGER(KIND=int_8) :: max_nze, min_nze + | ^ +note: 'min_nze' was declared here /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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:17 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:17 +14 2025\"" -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 '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/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="\"Sun Apr 13 06:27:17 +14 2025\"" -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 '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 /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 -/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/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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/et_coupling_types.F:74:34: - - 74 | SUBROUTINE get_et_coupling_type(et_coupling, et_mo_coeff, rest_mat) - | ^ -Warning: 'get_et_coupling_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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -/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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:27:17 +14 2025\"" -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="\"Sun Apr 13 06:27:17 +14 2025\"" -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 '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 -/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_types.F:720:38: - - 720 | SUBROUTINE cp_cfm_to_cfm_triangular(msource, mtarget, uplo) - | ^ -Warning: 'cp_cfm_to_cfm_triangular' 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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:27:17 +14 2025\"" -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 '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 -/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="\"Sun Apr 13 06:27:17 +14 2025\"" -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="\"Sun Apr 13 06:27:17 +14 2025\"" -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 '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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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/src/fm/cp_fm_basic_linalg.F:352:32: - - 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:1980:29: - - 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="\"Sun Apr 13 06:27:17 +14 2025\"" -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 /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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:27:17 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:17 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:17 +14 2025\"" -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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'fft_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="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'cp_fm_cusolver_api.mod' due to: target does not exist -true -/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 'cp_linked_list_fm.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="\"Sun Apr 13 06:27:17 +14 2025\"" -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 'cp_fm_types.mod' due to: target does not exist true /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 'fist_efield_types.mod' due to: target does not exist true +/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:560: update target 'eeq_input.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'preconditioner_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="\"Sun Apr 13 06:27:17 +14 2025\"" -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 'input_cp2k_field.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 +/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: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:560: update target 'input_cp2k_kpoints.mod' due to: target does not exist true +/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 'rel_control_types.mod' due to: target does not exist true -/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:560: update target 'qs_mom_types.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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_input.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:18 +14 2025\"" -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="\"Sun Apr 13 06:27:18 +14 2025\"" -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 /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: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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:18 +14 2025\"" -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 /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: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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_input.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_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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'iao_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 +/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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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:560: update target 'thermal_region_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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'qs_cdft_opt_types.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:560: update target 'qs_block_davidson_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="\"Sun Apr 13 06:27:18 +14 2025\"" -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 'gopt_param_types.mod' due to: target does not exist true -/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="\"Sun Apr 13 06:27:18 +14 2025\"" -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 'input_parsing.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 'xc_libxc_wrap.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'free_energy_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 -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_field.mod' due to: target does not exist -true -/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 'input_optimize_basis.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 -true -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:1044:48: - - 1044 | nsplit_prv = INT((d1 - 1)/d2 + 1) - | ^ -Warning: 'd1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:922:62: - - 922 | INTEGER(KIND=int_8) :: d1, d2, nze1, nze2 - | ^ -note: 'd1' was declared here -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:1044:48: - - 1044 | nsplit_prv = INT((d1 - 1)/d2 + 1) - | ^ -Warning: 'd2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:922:66: - - 922 | INTEGER(KIND=int_8) :: d1, d2, nze1, nze2 - | ^ -note: 'd2' was declared here -/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/fm/cp_fm_pool_types.F:265:27: - - 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 'qs_dispersion_types.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 'outer_scf_control_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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_output_handling.mod' due to: target does not exist -true -/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: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/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 -/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 -/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/src/qmmm_gaussian_input.F:671:70: - - 671 | REAL(KIND=dp) :: radius, rc - | ^ -Warning: 'rc' may be used uninitialized [-Wmaybe-uninitialized] -/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: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 -/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 -/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 -/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/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 -/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 -/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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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))) - | ^ -Warning: 'max_nze' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:1490:67: - - 1490 | INTEGER(KIND=int_8) :: max_nze, min_nze - | ^ -note: 'max_nze' was declared here -/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))) - | ^ -Warning: 'min_nze' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/dbt/tas/dbt_tas_mm.F:1490:76: - - 1490 | INTEGER(KIND=int_8) :: max_nze, min_nze - | ^ -note: 'min_nze' 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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -/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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -/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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'csvr_system_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="\"Sun Apr 13 06:27:18 +14 2025\"" -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 'input_cp2k_exstate.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/aobasis/basis_set_types.F:2519:37: 2519 | ss = ss + sss*ca(i)*cb(j) @@ -4879,93 +4756,15 @@ 2499 | REAL(KIND=dp) :: ab, ai, aj, s00, sss | ^ note: 'sss' was declared here -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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/Makefile:560: update target 'swarm_mpi.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/src/qmmm_gaussian_input.F:237:81: - - 237 | REAL(KIND=dp) :: my_radius, radius, rc - | ^ -Warning: 'rc' 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/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" -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 '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="\"Fri May 15 10:03:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a cp_parser_status_types.o cp_parser_inpp_methods.o cp_parser_ilist_methods.o cp_parser_methods.o input_parsing.o input_enumeration_types.o cp_parser_ilist_types.o input_keyword_types.o input_val_types.o cp_parser_buffer_types.o cp_linked_list_input.o cp_parser_types.o cp_parser_inpp_types.o input_section_types.o cp_output_handling.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="\"Fri May 15 10:03:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a/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 'qs_density_mixing_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/Makefile:560: update target 'input_cp2k_external.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'arnoldi_methods.mod' due to: target does not exist +/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: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: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 -/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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -/build/reproducible-path/cp2k-2025.1/src/input_cp2k_almo.F:672:10: - - 672 | IF (optimizer_type .EQ. optimizer_diis) THEN - | ^ -Warning: 'optimizer_type' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/input_cp2k_almo.F:580:74: - - 580 | INTEGER :: optimizer_type - | ^ -note: 'optimizer_type' 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: 'strlen1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1685:93: - - 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:1686:67: +/build/reproducible-path/cp2k-2025.1/src/et_coupling_types.F:74:34: - 1686 | strlen2 - | ^ -note: 'strlen2' was declared here + 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/src/dbt/tas/dbt_tas_mm.F:616:76: 616 | IF (nze_c_sum > default_nsplit_accept_ratio*MAX(nze_a, nze_b)) THEN @@ -4976,6 +4775,8 @@ 135 | matrix_b_rs, matrix_c_rep, matrix_c_rs | ^ note: 'matrix_c_rep' was declared here +/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/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) @@ -4996,30 +4797,147 @@ 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: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/Makefile:560: update target 'xas_control.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'iao_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="\"Fri May 15 10:03:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fp_types.mod' due to: target does not exist +/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:560: update target 'input_cp2k_atprop.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: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:560: update target 'input_restart_rng.mod' due to: target does not exist +true +/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="\"Sun Apr 13 06:27:18 +14 2025\"" -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 'swarm_mpi.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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_output_handling.mod' due to: target does not exist +true +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:18 +14 2025\"" -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/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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:18 +14 2025\"" -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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:18 +14 2025\"" -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 +/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: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" +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_enumeration_types.o input_val_types.o cp_parser_status_types.o cp_parser_ilist_methods.o cp_parser_inpp_types.o cp_parser_buffer_types.o cp_output_handling.o cp_parser_methods.o input_section_types.o cp_linked_list_input.o cp_parser_types.o input_keyword_types.o cp_parser_ilist_types.o cp_parser_inpp_methods.o input_parsing.o +/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:1685:93: + + 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:1686:67: + + 1686 | strlen2 + | ^ +note: 'strlen2' was declared here +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kinput.a +/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="\"Sun Apr 13 06:27:19 +14 2025\"" -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="\"Sun Apr 13 06:27:19 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'smeagol_control_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="\"Sun Apr 13 06:27:19 +14 2025\"" -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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:19 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:19 +14 2025\"" -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: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/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:19 +14 2025\"" -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/src/qmmm_gaussian_input.F:671:70: + + 671 | REAL(KIND=dp) :: radius, rc + | ^ +Warning: 'rc' 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="\"Sun Apr 13 06:27:19 +14 2025\"" -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="\"Sun Apr 13 06:27:19 +14 2025\"" -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 '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 +/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="\"Sun Apr 13 06:27:19 +14 2025\"" -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:560: update target 'qs_density_mixing_types.mod' due to: target does not exist +true +/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 'et_coupling_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="\"Sun Apr 13 06:27:19 +14 2025\"" -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="\"Sun Apr 13 06:27:19 +14 2025\"" -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 '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 -/build/reproducible-path/cp2k-2025.1/src/tmc/tmc_move_handle.F:298:16: +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'al_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="\"Sun Apr 13 06:27:19 +14 2025\"" -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:560: update target 'csvr_system_types.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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:19 +14 2025\"" -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 +/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/src/fm/cp_cfm_types.F:720:38: - 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:77:80: + 720 | SUBROUTINE cp_cfm_to_cfm_triangular(msource, mtarget, uplo) + | ^ +Warning: 'cp_cfm_to_cfm_triangular' 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="\"Sun Apr 13 06:27:19 +14 2025\"" -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:560: update target 'arnoldi_methods.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/src/fm/cp_fm_basic_linalg.F:352:32: - 77 | INTEGER :: i, i_rep, i_tmp, ind, n_items, & - | ^ -note: 'ind' was declared here + 352 | SUBROUTINE cp_fm_lu_decompose(matrix_a, almost_determinant, correct_sign) + | ^ +Warning: 'cp_fm_lu_decompose' 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="\"Sun Apr 13 06:27:19 +14 2025\"" -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/src/fm/cp_fm_basic_linalg.F:1980:29: + + 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/src/atom_types.F:2906:56: 2906 | potential%npot(l) = potential%npot(l) + 1 @@ -5030,11 +4948,49 @@ 2851 | INTEGER :: i, ic, l, ncore, nel | ^ note: 'l' was declared here -/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:560: update target 'input_cp2k_pwdft.mod' due to: target does not exist +/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 +/build/reproducible-path/cp2k-2025.1/src/qmmm_gaussian_input.F:237:81: + + 237 | REAL(KIND=dp) :: my_radius, radius, rc + | ^ +Warning: 'rc' 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="\"Sun Apr 13 06:27:19 +14 2025\"" -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_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 +/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="\"Sun Apr 13 06:27:19 +14 2025\"" -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/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:77:80: + + 77 | INTEGER :: i, i_rep, i_tmp, ind, n_items, & + | ^ +note: 'ind' 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="\"Sun Apr 13 06:27:19 +14 2025\"" -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 +/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="\"Sun Apr 13 06:27:20 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:20 +14 2025\"" -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_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="\"Sun Apr 13 06:27:20 +14 2025\"" -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_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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_laplace.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Sun Apr 13 06:27:20 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:20 +14 2025\"" -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 +/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 /build/reproducible-path/cp2k-2025.1/src/linesearch.F:321:32: 321 | this%step_size = step_size @@ -5055,42 +5011,158 @@ 302 | LOGICAL :: is_done | ^ note: 'is_done' declared here -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Sun Apr 13 06:27:20 +14 2025\"" -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="\"Sun Apr 13 06:27:20 +14 2025\"" -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_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 +/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="\"Sun Apr 13 06:27:23 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:23 +14 2025\"" -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 +/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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_read.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/src/input_cp2k_almo.F:672:10: + + 672 | IF (optimizer_type .EQ. optimizer_diis) THEN + | ^ +Warning: 'optimizer_type' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/input_cp2k_almo.F:580:74: + + 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="\"Sun Apr 13 06:27:23 +14 2025\"" -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: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 +/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:1492:76: + + 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:1492:67: + + 1492 | strlen1, strlen2 + | ^ +note: 'strlen1' was declared here +/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_eip.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="\"Sun Apr 13 06:27:23 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:23 +14 2025\"" -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 +/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 '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 +/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:1303:76: + + 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:1303:85: + + 1303 | INTEGER :: irep, l, strlen1, strlen2 + | ^ +note: 'strlen2' 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="\"Sun Apr 13 06:27:23 +14 2025\"" -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 +/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_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="\"Sun Apr 13 06:27:24 +14 2025\"" -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 +/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="\"Sun Apr 13 06:27:24 +14 2025\"" -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="\"Sun Apr 13 06:27:24 +14 2025\"" -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 +/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/Makefile:560: update target 'glbopt_history.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_embed.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="\"Sun Apr 13 06:27:24 +14 2025\"" -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 'tmc_move_handle.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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_tas_mm.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:24 +14 2025\"" -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 'pw_grid_info.mod' due to: target does not exist +true +/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/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 'cp_fm_cusolver_api.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 +true +/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 'qs_dispersion_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gaussian_gridlevels.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_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="\"Fri May 15 10:03:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'input_cp2k_almo.mod' due to: target does not exist +/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 'tmc_move_handle.mod' due to: target does not exist +/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 'linesearch.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: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_check.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:560: update target 'input_cp2k_almo.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:25 +14 2025\"" -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_voronoi.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 +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:25 +14 2025\"" -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_transport.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 true +/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_embed.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 true /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 'farming_methods.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 '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 @@ -5098,26 +5170,32 @@ 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: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: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/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/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: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 'smeagol_emtoptions.mod' due to: target does not exist -true -/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 'input_cp2k_read.mod' due to: target does not exist -true -/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:25 +14 2025\"" -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:560: update target 'qs_charge_mixing.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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_free_energy.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'qs_dftb_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="\"Sun Apr 13 06:27:25 +14 2025\"" -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="\"Sun Apr 13 06:27:25 +14 2025\"" -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 '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="\"Fri May 15 10:03:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'glbopt_minhop.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="\"Sun Apr 13 06:27:25 +14 2025\"" -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:560: update target 'input_cp2k_constraints.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:25 +14 2025\"" -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="\"Sun Apr 13 06:27:25 +14 2025\"" -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/src/fm/cp_fm_basic_linalg.F:2153:34: 2153 | ALLOCATE (work_sp(lwork)) @@ -5128,31 +5206,19 @@ 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_constraints.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 'input_cp2k_scf.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:25 +14 2025\"" -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 'thermostat_types.mod' due to: target does not exist true -/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:1492:76: - - 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:1492:67: +/build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_pool_types.F:265:27: - 1492 | strlen1, strlen2 - | ^ -note: 'strlen1' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_input.mod' due to: target does not exist + 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 'input_cp2k_smeagol.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/fm/cp_fm_basic_linalg.F:1712:45: @@ -5164,27 +5230,29 @@ 1553 | REAL(KIND=dp) :: determinant, my_eps_svd | ^ note: 'determinant' 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: 'strlen1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/subsys/external_potential_types.F:1303:76: - - 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:1303:85: - - 1303 | INTEGER :: irep, l, strlen1, strlen2 - | ^ -note: 'strlen2' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_types.mod' due to: target does not exist +/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: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_contract_block.o hfx_contraction_methods.o hfx_compression_core_methods.o +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_cfm_types.mod' due to: target does not exist +true +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 'optimize_basis_utils.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/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:26 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:26 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm_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="\"Sun Apr 13 06:27:26 +14 2025\"" -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 'cp_fm_pool_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/arnoldi/arnoldi_api.F:493:13: @@ -5196,6 +5264,8 @@ 398 | REAL(KIND=dp) :: alpha, beta, pap, rsnew, rsold | ^ note: 'rsnew' was declared here +/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 @@ -5206,34 +5276,47 @@ /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/Makefile:560: update target 'cp_cfm_types.mod' due to: target does not exist +/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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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/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="\"Sun Apr 13 06:27:28 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:28 +14 2025\"" -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="\"Sun Apr 13 06:27:28 +14 2025\"" -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="\"Sun Apr 13 06:27:28 +14 2025\"" -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="\"Sun Apr 13 06:27:28 +14 2025\"" -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="\"Sun Apr 13 06:27:29 +14 2025\"" -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 +/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" +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_base.o dbt_tas_util.o dbt_tas_reshape_ops.o dbt_tas_io.o dbt_tas_mm.o dbt_tas_types.o dbt_tas_global.o dbt_tas_split.o dbt_tas_test.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a +/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 /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: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 'qs_diis_types.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_geev.o arnoldi_types.o arnoldi_methods.o arnoldi_api.o arnoldi_data_methods.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libdbcsrarnoldi.a arnoldi_geev.o arnoldi_api.o arnoldi_data_methods.o arnoldi_methods.o arnoldi_types.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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_smeagol.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_basic_linalg.F:190:37: + + 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 '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="\"Fri May 15 10:03:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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 /build/reproducible-path/cp2k-2025.1/src/pao_input.F:235:31: 235 | s = "GAUSSIAN_PROCESS" @@ -5244,28 +5327,26 @@ 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:560: update target 'qs_charge_mixing.mod' due to: target does not exist -true -/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 'dbt_tas_mm.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="\"Sun Apr 13 06:27:29 +14 2025\"" -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 'negf_green_cache.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/Makefile:560: update target 'hfx_contraction_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="\"Sun Apr 13 06:27:29 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:29 +14 2025\"" -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:560: update target 'atomic_kind_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/fm/cp_cfm_basic_linalg.F:190:37: - - 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: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: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 +/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="\"Sun Apr 13 06:27:29 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:29 +14 2025\"" -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="\"Sun Apr 13 06:27:29 +14 2025\"" -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/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/src/pw/pw_grids.F:1408:32: 1408 | DO n = nlim(1), nlim(2) @@ -5296,13 +5377,11 @@ 1380 | INTEGER :: l, m, mm, n, n_upperlimit, nlim(2), nn | ^ note: 'n_upperlimit' 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="\"Fri May 15 10:03:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_scf.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 +/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: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="\"Sun Apr 13 06:27:30 +14 2025\"" -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="\"Sun Apr 13 06:27:29 +14 2025\"" -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 +/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 'dm_ls_scf_types.mod' due to: target does not exist true @@ -5312,10 +5391,12 @@ /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: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 'pao_ml_gaussprocess.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="\"Sun Apr 13 06:27:30 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:30 +14 2025\"" -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 +/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: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="\"Fri May 15 10:03:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /build/reproducible-path/cp2k-2025.1/src/pw/pw_grids.F:1001:17: 1001 | .OR. .NOT. blocking) THEN @@ -5336,10 +5417,26 @@ 1457 | mm, n, n_upperlimit, nn | ^ note: 'n_upperlimit' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'optimize_basis_utils.mod' due to: target does not exist +/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 +/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:560: update target 'pao_ml_neuralnet.mod' due to: target does not exist +/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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:31 +14 2025\"" -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: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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:31 +14 2025\"" -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/src/pao_optimizer.F:197:13: 197 | IF (beta < 0.0_dp) THEN @@ -5400,336 +5497,42 @@ 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 'cp_cfm_basic_linalg.mod' due to: target does not exist -true -/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 -/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" -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_global.o dbt_tas_mm.o dbt_tas_types.o dbt_tas_reshape_ops.o dbt_tas_io.o dbt_tas_util.o dbt_tas_base.o dbt_tas_test.o dbt_tas_split.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ktas.a -/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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'external_potential_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="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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/Makefile:560: update target 'pao_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="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'atom_types.mod' due to: target does not exist -true -/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="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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 '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="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'atomic_kind_types.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 -/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 '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 -/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 'cp_fm_basic_linalg.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 '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_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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/obj/Linux-x86_64-gfortran/psmp/all.dep:174: 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="\"Fri May 15 10:03:51 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'pw_grids.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 'atom_optimization.mod' due to: target does not exist -true -/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="\"Fri May 15 10:03:51 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'cp_fm_dlaf_api.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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atomic_kind_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="\"Fri May 15 10:03:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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: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="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:398:57: - - 398 | ALLOCATE (zdata_tmp(nnodes_half + nnodes_exist)) - | ^ -Warning: 'nnodes_half' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:342:71: - - 342 | nnodes_half, nnodes_next - | ^ -note: 'nnodes_half' was declared here -/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: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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:31 +14 2025\"" -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="\"Sun Apr 13 06:27:31 +14 2025\"" -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 /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="\"Sun Apr 13 06:27:31 +14 2025\"" -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="\"Sun Apr 13 06:27:31 +14 2025\"" -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/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="\"Sun Apr 13 06:27:31 +14 2025\"" -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 /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:31 +14 2025\"" -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="\"Sun Apr 13 06:27:31 +14 2025\"" -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: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 -/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1003:98: - - 1003 | REAL(KIND=dp) :: hicut0, l_epsilon, l_sigma6, m_epsilon, & - | ^ -Warning: 'm_epsilon' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1004:68: - - 1004 | m_sigma6, min_sigma6, rcovi, rcovj - | ^ -Warning: 'm_sigma6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1085:77: - - 1085 | pot%spl_f%rcutsq_f = (min_sigma6/m_sigma6)**(1.0_dp/3.0_dp) - | ^ -Warning: 'min_sigma6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1004:80: - - 1004 | m_sigma6, min_sigma6, rcovi, rcovj - | ^ -note: 'min_sigma6' 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="\"Sun Apr 13 06:27:31 +14 2025\"" -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 /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="\"Sun Apr 13 06:27:31 +14 2025\"" -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 /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:31 +14 2025\"" -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 /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="\"Sun Apr 13 06:27:31 +14 2025\"" -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 /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_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 -/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:258:84: - - 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="\"Sun Apr 13 06:27:32 +14 2025\"" -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="\"Sun Apr 13 06:27:32 +14 2025\"" -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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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:560: update target 'cp_fm_cholesky.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 'negf_integr_simpson.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -/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 'iterate_matrix.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 -/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 'negf_integr_cc.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 '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="\"Fri May 15 10:03:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/manybody_deepmd.F:132:91: - - 132 | deepmd_data%model = deepmd_model_load(filename=pot%set(1)%deepmd%deepmd_file_name) - | ^ -Warning: 'pot' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/manybody_deepmd.F:74:63: - - 74 | TYPE(pair_potential_single_type), POINTER :: pot - | ^ -note: 'pot' 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="\"Fri May 15 10:03:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'rmsd.mod' due to: target does not exist -true -/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 'particle_list_types.mod' due to: target does not exist -true -/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 '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:560: update target 'pair_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="\"Fri May 15 10:03:54 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:54 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'hirshfeld_types.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 '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_loc_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="\"Fri May 15 10:03:54 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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) - | ^ -Warning: 'pot' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F:244:63: - - 244 | TYPE(pair_potential_single_type), POINTER :: pot - | ^ -note: 'pot' was declared here -/build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F:421:39: - - 421 | atom_types(iat_use) = atom_idx - | ^ -Warning: 'atom_idx' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F:223:41: - - 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/src/manybody_allegro.F:294:88: - - 294 | CALL torch_model_load(allegro_data%model, pot%set(1)%allegro%allegro_file_name) - | ^ -Warning: 'pot' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/manybody_allegro.F:264:63: - - 264 | TYPE(pair_potential_single_type), POINTER :: pot - | ^ -note: 'pot' was declared here -/build/reproducible-path/cp2k-2025.1/src/manybody_allegro.F:418:39: - - 418 | atom_types(iat_use) = atom_idx - | ^ -Warning: 'atom_idx' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/manybody_allegro.F:245:41: - - 245 | 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 '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 -/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 'basis_set_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 +/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 '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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:32 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:1021:34: 1021 | np = n_oxygens + n_hydrogens @@ -5782,62 +5585,35 @@ | ^ Warning: 'i_oxygens.offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:1004:82: Warning: 'i_oxygens.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] -/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 '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/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 -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:451:59: +/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/src/pair_potential.F:1003:98: - 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:269:73: + 1003 | REAL(KIND=dp) :: hicut0, l_epsilon, l_sigma6, m_epsilon, & + | ^ +Warning: 'm_epsilon' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1004:68: - 269 | maxn_sendrecv, rs_dim1, rs_dim2, & - | ^ -note: 'maxn_sendrecv' was declared here -/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 'manybody_eam.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 -/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="\"Fri May 15 10:03:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/pw/realspace_grid_cube.F:778:65: + 1004 | m_sigma6, min_sigma6, rcovi, rcovj + | ^ +Warning: 'm_sigma6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1085:77: - 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:648:92: + 1085 | pot%spl_f%rcutsq_f = (min_sigma6/m_sigma6)**(1.0_dp/3.0_dp) + | ^ +Warning: 'min_sigma6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pair_potential.F:1004:80: - 648 | INTEGER :: counter, i, islice, j, k, last_z, & - | ^ -note: 'last_z' was declared here -/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="\"Fri May 15 10:03:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 + 1004 | m_sigma6, min_sigma6, rcovi, rcovj + | ^ +note: 'min_sigma6' 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="\"Sun Apr 13 06:27:32 +14 2025\"" -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 +/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/obj/Linux-x86_64-gfortran/psmp/all.dep:146: 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="\"Sun Apr 13 06:27:32 +14 2025\"" -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 'multipole_types.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:1096:57: 1096 | np = n_oxygens_water + n_oxygens_acid + n_hydrogens @@ -5916,15 +5692,117 @@ | ^ Warning: 'i_oxygens_water.offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/subsys/colvar_types.F:1075:75: Warning: 'i_oxygens_water.dim[0].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="\"Fri May 15 10:03:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'manybody_siepmann.mod' due to: target does not exist +/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) + | ^ +Warning: 'pot' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/manybody_deepmd.F:74:63: + + 74 | TYPE(pair_potential_single_type), POINTER :: pot + | ^ +note: 'pot' was declared here +/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 'input_cp2k_restarts_util.mod' due to: target does not exist +/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="\"Fri May 15 10:03:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'mixed_environment_utils.mod' due to: target does not exist +/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_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_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:560: update target 'qs_loc_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="\"Sun Apr 13 06:27:33 +14 2025\"" -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 '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:560: update target 'rmsd.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) + | ^ +Warning: 'pot' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/manybody_allegro.F:264:63: + + 264 | TYPE(pair_potential_single_type), POINTER :: pot + | ^ +note: 'pot' was declared here +/build/reproducible-path/cp2k-2025.1/src/manybody_allegro.F:418:39: + + 418 | atom_types(iat_use) = atom_idx + | ^ +Warning: 'atom_idx' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/manybody_allegro.F:245:41: + + 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="\"Sun Apr 13 06:27:33 +14 2025\"" -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="\"Sun Apr 13 06:27:33 +14 2025\"" -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: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:560: update target 'cp_symmetry.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 'manybody_deepmd.mod' due to: target does not exist +true +/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 '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="\"Sun Apr 13 06:27:33 +14 2025\"" -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 +/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/src/manybody_nequip.F:274:85: + + 274 | CALL torch_model_load(nequip_data%model, pot%set(1)%nequip%nequip_file_name) + | ^ +Warning: 'pot' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F:244:63: + + 244 | TYPE(pair_potential_single_type), POINTER :: pot + | ^ +note: 'pot' was declared here +/build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F:421:39: + + 421 | atom_types(iat_use) = atom_idx + | ^ +Warning: 'atom_idx' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/manybody_nequip.F:223:41: + + 223 | 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="\"Sun Apr 13 06:27:35 +14 2025\"" -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/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:505:64: + + 505 | INTEGER, DIMENSION(:), POINTER :: list + | ^ +note: 'list.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="\"Sun Apr 13 06:27:35 +14 2025\"" -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 '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="\"Sun Apr 13 06:26:58 +14 2025\"" -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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:35 +14 2025\"" -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 +/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_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="\"Sun Apr 13 06:27:36 +14 2025\"" -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/src/manybody_gal.F:169:126: 169 | - gal%bxy*drji2*sinalpha*sinalpha)) @@ -5955,20 +5833,91 @@ 75 | VTT, weight | ^ note: 'weight' 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 'input_cp2k_restarts_util.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:36 +14 2025\"" -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:560: update target 'parallel_gemm_api.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/matrix_exp.F:514:89: +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_param_fock.mod' due to: target does not exist +true +/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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:36 +14 2025\"" -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:560: update target 'cp_cfm_cholesky.mod' due to: target does not exist +true +/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="\"Sun Apr 13 06:27:36 +14 2025\"" -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:560: update target 'basis_set_types.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:36 +14 2025\"" -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:560: update target 'manybody_gal.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 +/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="\"Sun Apr 13 06:27:36 +14 2025\"" -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 '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="\"Sun Apr 13 06:27:36 +14 2025\"" -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 +/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/src/negf_integr_cc.F:398:57: - 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:454:74: + 398 | ALLOCATE (zdata_tmp(nnodes_half + nnodes_exist)) + | ^ +Warning: 'nnodes_half' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/negf_integr_cc.F:342:71: - 454 | COMPLEX(KIND=dp) :: scaleD, scaleN - | ^ -note: 'REALPART_EXPR ' was declared here + 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="\"Sun Apr 13 06:27:37 +14 2025\"" -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 +/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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:37 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:37 +14 2025\"" -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 '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 '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/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:258:84: + + 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="\"Sun Apr 13 06:27:37 +14 2025\"" -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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:37 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:37 +14 2025\"" -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: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 '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="\"Sun Apr 13 06:27:37 +14 2025\"" -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="\"Sun Apr 13 06:27:37 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:37 +14 2025\"" -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: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 +/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/src/aobasis/basis_set_container_types.F:205:10: 205 | IF (ibas /= 0) THEN @@ -5979,16 +5928,50 @@ 186 | INTEGER :: basis_nr, i, ibas | ^ note: 'ibas' was declared here -/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:1046:87: - - 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="\"Sun Apr 13 06:27:37 +14 2025\"" -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/Makefile:560: update target 'pair_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="\"Sun Apr 13 06:27:37 +14 2025\"" -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:560: update target 'manybody_allegro.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 +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:37 +14 2025\"" -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:560: update target 'iterate_matrix.mod' due to: target does not exist +true +/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: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/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 '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 'pw_types.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:38 +14 2025\"" -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 'cp_fm_elpa.mod' due to: target does not exist +true +/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:560: update target 'basis_set_container_types.mod' due to: target does not exist +true +/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 'fist_neighbor_lists.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:38 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_nequip.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:38 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/gapw_1c_basis_set.F:137:41: 137 | rr = LOG(zmall/0.05_dp)/LOG(fr1) @@ -5999,33 +5982,6 @@ 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 'paw_basis_types.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/Makefile:560: update target 'manybody_allegro.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 'manybody_gal21.mod' due to: target does not exist -true -/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/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:505:64: - - 505 | INTEGER, DIMENSION(:), POINTER :: list - | ^ -note: 'list.data' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_o3c_types.F:160:32: 160 | ALLOCATE (o3c%ijpair(nij)) @@ -6096,129 +6052,148 @@ 160 | ALLOCATE (o3c%ijpair(nij)) | ^ note: 'o3c_pair_type.49' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'manybody_nequip.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="\"Sun Apr 13 06:27:38 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:38 +14 2025\"" -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 +/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/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/Makefile:560: update target 'lri_optimize_ri_basis_types.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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:38 +14 2025\"" -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 +/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 +/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="\"Sun Apr 13 06:27:38 +14 2025\"" -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 '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="\"Sun Apr 13 06:27:38 +14 2025\"" -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 '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="\"Sun Apr 13 06:27:38 +14 2025\"" -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:560: update target 'qs_o3c_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="\"Fri May 15 10:03:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'basis_set_container_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="\"Sun Apr 13 06:27:38 +14 2025\"" -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:560: update target 'hirshfeld_types.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:39 +14 2025\"" -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 +/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 'soft_basis_set.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/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 '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 'aux_basis_set.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/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:39 +14 2025\"" -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 +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a ai_derivatives.o orbital_symbols.o basis_set_types.o ai_moments.o paw_basis_types.o ai_verfc.o orbital_pointers.o ai_operators_r12.o ai_onecenter.o ai_angmom.o ai_overlap3.o ao_util.o ai_eri_debug.o ai_contraction_sphi.o orbital_transformation_matrices.o basis_set_container_types.o ai_operator_ra2m.o ai_elec_field.o ai_spin_orbit.o ai_coulomb_test.o ai_os_rr.o ai_contraction.o ai_overlap.o sto_ng.o ai_overlap3_debug.o ai_overlap_ppl.o ai_kinetic.o aux_basis_set.o soft_basis_set.o ai_overlap_aabb.o ai_coulomb.o ai_overlap_debug.o ai_oneelectron.o ai_fermi_contact.o +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_operations.mod' due to: target does not exist true +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kao.a +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:39 +14 2025\"" -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 '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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:39 +14 2025\"" -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 '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:560: update target 'preconditioner_apply.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:39 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:39 +14 2025\"" -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="\"Sun Apr 13 06:27:39 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:39 +14 2025\"" -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: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="\"Sun Apr 13 06:27:39 +14 2025\"" -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: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 -/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 '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="\"Fri May 15 10:03:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'soft_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="\"Fri May 15 10:03:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Fri May 15 10:03:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'qs_o3c_types.mod' due to: target does not exist +/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="\"Sun Apr 13 06:27:39 +14 2025\"" -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 +/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: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 'dm_ls_scf_curvy.mod' due to: target does not exist +/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: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: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="\"Fri May 15 10:03:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:03:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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:560: update target 'aux_basis_set.mod' due to: target does not exist -true -/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:560: update target 'pw_gpu.mod' due to: target does not exist +/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: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" -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'atom_set_basis.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="\"Sun Apr 13 06:27:39 +14 2025\"" -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:560: update target 'kpoint_transitional.mod' due to: target does not exist true -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 ai_contraction.o ai_oneelectron.o paw_basis_types.o basis_set_container_types.o soft_basis_set.o orbital_transformation_matrices.o aux_basis_set.o ai_overlap_debug.o ai_spin_orbit.o ai_onecenter.o ai_coulomb_test.o ai_elec_field.o ai_verfc.o ao_util.o basis_set_types.o ai_coulomb.o orbital_symbols.o ai_overlap3.o ai_derivatives.o sto_ng.o ai_fermi_contact.o orbital_pointers.o ai_os_rr.o ai_kinetic.o ai_overlap.o ai_overlap_aabb.o ai_overlap_ppl.o ai_operator_ra2m.o ai_angmom.o ai_eri_debug.o ai_overlap3_debug.o ai_moments.o ai_operators_r12.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 'qs_harmonics_atom.mod' due to: target does not exist +/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 'matrix_exp.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_period_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="\"Fri May 15 10:03:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:03:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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 '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="\"Fri May 15 10:03:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/pw/dct.F:556:67: +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:451:59: - 556 | ALLOCATE (recv_reqs(maxn_sendrecv), send_reqs(maxn_sendrecv)) - | ^ + 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:527:45: +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:269:73: - 527 | lb3_loc, lb3_new, loc, maxn_sendrecv, rs_mpo, ub1, ub1_loc, ub1_new, ub2, ub2_loc, & - | ^ + 269 | maxn_sendrecv, rs_dim1, rs_dim2, & + | ^ note: 'maxn_sendrecv' was declared here -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:666:53: - - 666 | cr3d_xpndd(:, :, ind:ub3_new) = catd_flipdbf - | ^ -Warning: 'ind' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:526:43: - - 526 | INTEGER :: group_size, handle, i, ind, lb1, lb1_loc, lb1_new, lb2, lb2_loc, lb2_new, lb3, & - | ^ -note: 'ind' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_period_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="\"Fri May 15 10:03:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'cp_realspace_grid_cube.mod' due to: target does not exist -true +/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="\"Sun Apr 13 06:27:40 +14 2025\"" -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 /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:560: update target 'kpoint_transitional.mod' due to: target does not exist +/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 'dm_ls_scf_curvy.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:42 +14 2025\"" -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 /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'generic_shg_integrals_init.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_cholesky.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:42 +14 2025\"" -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: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 'qs_mo_types.mod' due to: target does not exist true +/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:648:92: + + 648 | INTEGER :: counter, i, islice, j, k, last_z, & + | ^ +note: 'last_z' 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="\"Sun Apr 13 06:27:42 +14 2025\"" -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 +/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/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 /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) @@ -6229,194 +6204,203 @@ 1786 | ELEMENTAL FUNCTION assoc_laguerre(z, a, n) RESULT(res) | ^ note: 'res' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_dbcsr_cholesky.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="\"Sun Apr 13 06:27:42 +14 2025\"" -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="\"Sun Apr 13 06:27:42 +14 2025\"" -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="\"Sun Apr 13 06:27:42 +14 2025\"" -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 'qs_cdft_types.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: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="\"Sun Apr 13 06:27:42 +14 2025\"" -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="\"Sun Apr 13 06:27:42 +14 2025\"" -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 'soc_pseudopotential_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/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" -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_cfm_cholesky.o cp_fm_diag_utils.o cp_fm_diag.o cp_cfm_diag.o cp_fm_dlaf_api.o cp_fm_cholesky.o cp_cfm_types.o cp_fm_types.o cp_blacs_env.o cp_dlaf_utils_api.o cp_fm_basic_linalg.o cp_linked_list_fm.o cp_cfm_basic_linalg.o cp_cfm_dlaf_api.o cp_fm_pool_types.o cp_fm_elpa.o cp_fm_cusolver_api.o cp_blacs_types.o cp_fm_struct.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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'colvar_types.mod' due to: target does not exist true -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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'qs_local_rho_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="\"Fri May 15 10:03:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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 'preconditioner_solvers.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:43 +14 2025\"" -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: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/Makefile:560: update target 'qs_mo_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/rpa_sigma_functional.F:737:10: +/build/reproducible-path/cp2k-2025.1/src/matrix_exp.F:514:89: - 737 | IF (sigma > x_coord(n)) inum = n - | ^ -Warning: 'n' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rpa_sigma_functional.F:223:67: + 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:454:74: - 223 | INTEGER :: i, m, n - | ^ -note: 'n' 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="\"Fri May 15 10:03:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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/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:560: update target 'qs_ot_types.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 'qs_condnum.mod' due to: target does not exist + 454 | COMPLEX(KIND=dp) :: scaleD, scaleN + | ^ +note: 'REALPART_EXPR ' 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="\"Sun Apr 13 06:27:43 +14 2025\"" -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 +/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 'preconditioner_solvers.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="\"Sun Apr 13 06:27:43 +14 2025\"" -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 +/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 '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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_soc_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="\"Sun Apr 13 06:27:43 +14 2025\"" -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 'realspace_grid_cube.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/pw/dct.F:208:42: - - 208 | ALLOCATE (flipg_stat(maxn_sendrecv)) - | ^ -Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:170:90: - - 170 | INTEGER :: blocked, handle, maxn_sendrecv, & - | ^ -note: 'maxn_sendrecv' was declared here -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:218:44: - - 218 | hmat2(1, 1) = scfac(1)*cell_hmat(1, 1) - | ^ -Warning: 'scfac[0]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:177:65: - - 177 | REAL(KIND=dp), DIMENSION(3) :: scfac - | ^ -note: 'scfac[0]' was declared here -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:219:44: - - 219 | hmat2(2, 2) = scfac(2)*cell_hmat(2, 2) - | ^ -Warning: 'scfac[1]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:177:65: - - 177 | REAL(KIND=dp), DIMENSION(3) :: scfac - | ^ -note: 'scfac[1]' was declared here -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:220:44: - - 220 | hmat2(3, 3) = scfac(3)*cell_hmat(3, 3) - | ^ -Warning: 'scfac[2]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:177:65: - - 177 | REAL(KIND=dp), DIMENSION(3) :: scfac - | ^ -note: 'scfac[2]' 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="\"Fri May 15 10:03:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:105:50: +/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/src/pw/dct.F:1090:46: - 105 | ALLOCATE (dct_env%flipg_stat(maxn_sendrecv)) - | ^ + 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:90:81: +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:1046:87: - 90 | INTEGER :: handle, maxn_sendrecv - | ^ + 1046 | lb3_new, loc, maxn_sendrecv, rs_mpo, & + | ^ note: 'maxn_sendrecv' was declared here -/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 '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 -/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 '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: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: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 '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="\"Fri May 15 10:03:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:43 +14 2025\"" -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/src/almo_scf_methods.F:3034:33: 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="\"Sun Apr 13 06:27:43 +14 2025\"" -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:560: update target 'cp_fm_diag.mod' due to: target does not exist +true +/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 '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="\"Sun Apr 13 06:27:44 +14 2025\"" -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 +/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="\"Sun Apr 13 06:27:44 +14 2025\"" -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 +/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:560: update target 'exstates_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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:44 +14 2025\"" -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 +/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 '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 'colvar_types.mod' due to: target does not exist +/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:560: update target 'preconditioner_makes.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="\"Sun Apr 13 06:27:44 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:44 +14 2025\"" -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 +/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 '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="\"Sun Apr 13 06:27:44 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:44 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:44 +14 2025\"" -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 +/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="\"Sun Apr 13 06:27:44 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:44 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:44 +14 2025\"" -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:560: update target 'cp_realspace_grid_cube.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:560: update target 'qs_matrix_pools.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="\"Sun Apr 13 06:27:44 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_density_matrices.mod' due to: target does not exist true -/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: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: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 '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="\"Fri May 15 10:03:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:03:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:03:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'maxwell_solver_interface.mod' due to: target does not exist +/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 'admm_dm_types.mod' due to: target does not exist +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:44 +14 2025\"" -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:560: update target 'molecule_kind_types.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 +/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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:45 +14 2025\"" -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/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 'scf_control_types.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/src/rpa_sigma_functional.F:737:10: + + 737 | IF (sigma > x_coord(n)) inum = n + | ^ +Warning: 'n' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rpa_sigma_functional.F:223:67: + + 223 | INTEGER :: i, m, n + | ^ +note: 'n' 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="\"Sun Apr 13 06:27:45 +14 2025\"" -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: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/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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:45 +14 2025\"" -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 '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/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:287:97: + + 287 | REAL(KIND=dp) :: dab, mass_com, rab(3), unit_conv_core, & + | ^ +note: 'unit_conv_core' 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="\"Sun Apr 13 06:27:45 +14 2025\"" -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/Makefile:560: update target 'dbt_block.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="\"Sun Apr 13 06:27:45 +14 2025\"" -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/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:527:45: + + 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:666:53: + + 666 | cr3d_xpndd(:, :, ind:ub3_new) = catd_flipdbf + | ^ +Warning: 'ind' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:526:43: + + 526 | INTEGER :: group_size, handle, i, ind, lb1, lb1_loc, lb1_new, lb2, lb2_loc, lb2_new, lb3, & + | ^ +note: 'ind' was declared here +/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: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 -/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 -/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/src/almo_scf_methods.F:2941:16: 2941 | IF (use_ranges_only) THEN @@ -6453,186 +6437,202 @@ | ^ Warning: 'temp3.offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/almo_scf_methods.F:2816:79: Warning: 'temp3.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="\"Fri May 15 10:04:00 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:00 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:00 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:00 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_density_matrices.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_methods.mod' due to: target does not exist +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:45 +14 2025\"" -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: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: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" +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_diag_utils.o cp_fm_pool_types.o cp_fm_struct.o cp_blacs_env.o cp_fm_elpa.o cp_fm_basic_linalg.o cp_blacs_types.o cp_dlaf_utils_api.o cp_cfm_basic_linalg.o cp_cfm_diag.o cp_fm_cusolver_api.o cp_fm_types.o cp_fm_cholesky.o cp_fm_dlaf_api.o cp_cfm_types.o cp_cfm_dlaf_api.o cp_linked_list_fm.o cp_cfm_cholesky.o cp_fm_diag.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 '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 +/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:560: update target 'xtb_parameters.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="\"Sun Apr 13 06:27:45 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:45 +14 2025\"" -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 +/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 'topology_cp2k.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'lri_environment_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="\"Sun Apr 13 06:27:45 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:45 +14 2025\"" -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:560: update target 'topology_multiple_unit_cell.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="\"Fri May 15 10:04:00 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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/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:560: update target 'generic_shg_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="\"Sun Apr 13 06:27:46 +14 2025\"" -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: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:560: update target 'qs_condnum.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/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" -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 generic_shg_integrals.o construct_shg.o s_contract_shg.o constants_operator.o generic_shg_integrals_init.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 -/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 'maxwell_solver_interface.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:01 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:01 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:01 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:01 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:01 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:01 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:01 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:01 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_types.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_methods.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="\"Fri May 15 10:04:01 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:01 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'molecule_kind_types.mod' due to: target does not exist +/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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:01 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'lri_compression.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 +/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="\"Sun Apr 13 06:27:46 +14 2025\"" -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 +/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 +/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: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="\"Fri May 15 10:04:01 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'qs_active_space_utils.mod' due to: target does not exist +/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/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/src/qs_localization_methods.F:2695:68: - - 2695 | CALL dcopy(nstate*n1, gmat(1, 1), 1, rotmat(1, 1), 1) - | ^ -Warning: 'gmat.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2493:64: - - 2493 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: gmat, rmat_loc, rmat_recv, rmat_send - | ^ -note: 'gmat.offset' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2606:80: - - 2606 | msgout=c_array_partner, source=ip_partner) - | ^ -Warning: 'gmat.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2493:64: - - 2493 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: gmat, rmat_loc, rmat_recv, rmat_send - | ^ -note: 'gmat.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2871:71: - - 2871 | ii = nblock_max*ip_has_i + i - ns_bound(ip_has_i, 1) + 1 - | ^ -Warning: 'ip_has_i' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2486:96: - - 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 'topology_multiple_unit_cell.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 'topology_cp2k.mod' due to: target does not exist +/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 'dbt_io.mod' due to: target does not exist +/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 +/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="\"Sun Apr 13 06:27:46 +14 2025\"" -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="\"Sun Apr 13 06:27:46 +14 2025\"" -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/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 'kpoint_types.mod' due to: target does not exist -true -/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="\"Fri May 15 10:04:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/src/atoms_input.F:441:84: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:46 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:46 +14 2025\"" -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/src/topology_gromos.F:280:21: - 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:287:97: + 280 | nsolute = natom + | ^ +Warning: 'natom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_gromos.F:66:32: - 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 'topology_xyz.mod' due to: target does not exist + 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 'preconditioner_makes.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_colvar.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:46 +14 2025\"" -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 +/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 '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:560: update target 'kpoint_types.mod' due to: target does not exist +true +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:47 +14 2025\"" -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 /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:560: update target 'cp_dbcsr_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="\"Sun Apr 13 06:27:47 +14 2025\"" -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: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 'ct_methods.mod' due to: target does not exist -true -/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:560: update target 'dbt_reshape_ops.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="\"Sun Apr 13 06:27:47 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:47 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:47 +14 2025\"" -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 +/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/topology_gromos.F:280:21: - - 280 | nsolute = natom - | ^ -Warning: 'natom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_gromos.F:66:32: - - 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 'topology_pdb.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 'rt_make_propagators.mod' due to: target does not exist +/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:560: update target 'atoms_input.mod' due to: target does not exist +/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 'topology_input.mod' due to: target does not exist +/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="\"Sun Apr 13 06:27:49 +14 2025\"" -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 'qs_o3c_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="\"Sun Apr 13 06:27:49 +14 2025\"" -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 '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: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="\"Sun Apr 13 06:27:49 +14 2025\"" -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 +Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a /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: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 'manybody_potential.mod' due to: target does not exist +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: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kshg_int.a +/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: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="\"Fri May 15 10:04:03 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:49 +14 2025\"" -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 +/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/src/pw/dct.F:208:42: + + 208 | ALLOCATE (flipg_stat(maxn_sendrecv)) + | ^ +Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:170:90: + + 170 | INTEGER :: blocked, handle, maxn_sendrecv, & + | ^ +note: 'maxn_sendrecv' was declared here +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:218:44: + + 218 | hmat2(1, 1) = scfac(1)*cell_hmat(1, 1) + | ^ +Warning: 'scfac[0]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:177:65: + + 177 | REAL(KIND=dp), DIMENSION(3) :: scfac + | ^ +note: 'scfac[0]' was declared here +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:219:44: + + 219 | hmat2(2, 2) = scfac(2)*cell_hmat(2, 2) + | ^ +Warning: 'scfac[1]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:177:65: + + 177 | REAL(KIND=dp), DIMENSION(3) :: scfac + | ^ +note: 'scfac[1]' was declared here +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:220:44: + + 220 | hmat2(3, 3) = scfac(3)*cell_hmat(3, 3) + | ^ +Warning: 'scfac[2]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:177:65: + + 177 | REAL(KIND=dp), DIMENSION(3) :: scfac + | ^ +note: 'scfac[2]' 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="\"Sun Apr 13 06:27:49 +14 2025\"" -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/src/pw/dct.F:105:50: + + 105 | ALLOCATE (dct_env%flipg_stat(maxn_sendrecv)) + | ^ +Warning: 'maxn_sendrecv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dct.F:90:81: + + 90 | INTEGER :: handle, maxn_sendrecv + | ^ +note: 'maxn_sendrecv' was declared here +/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 'dct.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 +true /build/reproducible-path/cp2k-2025.1/src/qs_loc_molecules.F:170:60: 170 | i = molecule_set(imol_now)%lmi(ispin)%nstates @@ -6645,12 +6645,10 @@ note: 'imol_now' was declared here /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 'topology_gromos.mod' due to: target does not exist -true -/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:560: update target 'qs_loc_molecules.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 +true /build/reproducible-path/cp2k-2025.1/src/motion/thermostat/thermostat_mapping.F:980:66: 980 | id_region = map_loc_thermo_gen(iatm) @@ -6681,26 +6679,14 @@ 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 'input_cp2k_binary_restarts.mod' due to: target does not exist -true -/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 'rt_make_propagators.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:97:69: - - 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 -Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a force_field_kind_types.o shell_potential_types.o molecule_kind_list_types.o atprop_types.o particle_list_types.o atomic_kind_types.o atomic_kind_list_types.o molecule_types.o external_potential_types.o molecule_list_types.o damping_dipole_types.o cell_types.o multipole_types.o cp_subsys_types.o particle_types.o molecule_kind_types.o colvar_types.o virial_types.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2ksubsys.a external_potential_types.o molecule_list_types.o cp_subsys_types.o force_field_kind_types.o particle_list_types.o shell_potential_types.o atprop_types.o molecule_kind_list_types.o atomic_kind_list_types.o molecule_kind_types.o virial_types.o colvar_types.o cell_types.o multipole_types.o molecule_types.o damping_dipole_types.o atomic_kind_types.o particle_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 @@ -6710,42 +6696,63 @@ /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: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: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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:05 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:05 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'thermostat_mapping.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="\"Sun Apr 13 06:27:51 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:51 +14 2025\"" -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="\"Sun Apr 13 06:27:51 +14 2025\"" -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="\"Sun Apr 13 06:27:51 +14 2025\"" -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="\"Sun Apr 13 06:27:51 +14 2025\"" -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="\"Sun Apr 13 06:27:51 +14 2025\"" -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="\"Sun Apr 13 06:27:51 +14 2025\"" -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="\"Sun Apr 13 06:27:51 +14 2025\"" -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 'fist_intra_force.mod' due to: target does not exist true -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:05 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:05 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:05 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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) + | ^ +Warning: 'gmat.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2493:64: + + 2493 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: gmat, rmat_loc, rmat_recv, rmat_send + | ^ +note: 'gmat.offset' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2606:80: + + 2606 | msgout=c_array_partner, source=ip_partner) + | ^ +Warning: 'gmat.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2493:64: + + 2493 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: gmat, rmat_loc, rmat_recv, rmat_send + | ^ +note: 'gmat.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2871:71: + + 2871 | ii = nblock_max*ip_has_i + i - ns_bound(ip_has_i, 1) + 1 + | ^ +Warning: 'ip_has_i' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_localization_methods.F:2486:96: + + 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/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] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_split.mod' due to: target does not exist +/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:560: update target 'manybody_potential.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:181:53: 181 | fp_env%bias_weight = EXP(fp_env%bias_energy/kT) @@ -6756,66 +6763,50 @@ 64 | REAL(KIND=dp) :: c, dcdr, kT, r, rab(3), sf, strength | ^ note: 'kt' 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="\"Fri May 15 10:04:05 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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:97:69: + + 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 'ipi_environment_types.mod' due to: target does not exist true /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 'fp_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 /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 '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 -/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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:06 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:06 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:06 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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/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:2222:66: - - 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:2223:73: - - 2223 | LOGICAL :: nlcc, spinpol - | ^ -note: 'spinpol' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'csvr_system_mapping.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="\"Sun Apr 13 06:27:52 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:52 +14 2025\"" -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 'thermostat_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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'embed_types.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 '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="\"Sun Apr 13 06:27:53 +14 2025\"" -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="\"Sun Apr 13 06:27:53 +14 2025\"" -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="\"Sun Apr 13 06:27:53 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'virial_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="\"Fri May 15 10:04:06 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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:560: update target 'al_system_init.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 +/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 'nnp_environment_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_utils.mod' due to: target does not exist true /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 @@ -6823,41 +6814,86 @@ /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:07 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:07 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:07 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 '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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'topology_connectivity_util.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="\"Sun Apr 13 06:27:53 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:53 +14 2025\"" -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="\"Sun Apr 13 06:27:53 +14 2025\"" -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 'paw_proj_set_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="\"Fri May 15 10:04:07 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'al_system_mapping.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 +/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/src/motion/helium_types.F:391:41: 391 | SUBROUTINE helium_destroy_real_arr_ptr(real_arr_p) | ^ Warning: 'helium_destroy_real_arr_ptr' 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="\"Fri May 15 10:04:07 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:54 +14 2025\"" -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 /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 'negf_subgroup_types.mod' due to: target does not exist +/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 +/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 '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="\"Sun Apr 13 06:27:57 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:57 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'al_system_init.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 'nnp_model.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 'extended_system_mapping.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 'almo_scf_methods.mod' due to: target does not exist +true +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:27:59 +14 2025\"" -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/Makefile:560: update target 'topology_connectivity_util.mod' due to: target does not exist true +/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:2222:66: + + 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:2223:73: + + 2223 | LOGICAL :: nlcc, spinpol + | ^ +note: 'spinpol' was declared here /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="\"Fri May 15 10:04:11 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:04 +14 2025\"" -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 '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="\"Sun Apr 13 06:28:05 +14 2025\"" -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 'nnp_force.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 @@ -6868,26 +6904,8 @@ 462 | LOGICAL :: nl_trans | ^ note: 'nl_trans' 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:605:78: - - 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:630:88: - - 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 'qs_localization_methods.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/atom_sgp.F:246:10: 246 | IF (do_transform) THEN @@ -6938,174 +6956,136 @@ 89 | REAL(KIND=dp) :: errcc, rcut | ^ note: 'errcc' was declared here -/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:605:78: + + 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:630:88: + + 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 'atom_sgp.mod' due to: target does not exist true -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:14 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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="\"Fri May 15 10:04:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:04:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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" -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 -ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kdbt.a dbt_methods.o dbt_types.o dbt_index.o dbt_allocate_wrap.o dbt_reshape_ops.o dbt_array_list_methods.o dbt_api.o dbt_test.o dbt_io.o dbt_block.o dbt_split.o -/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 -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 '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="\"Fri May 15 10:04:21 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:21 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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/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="\"Fri May 15 10:04:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 - | ^ -Warning: 'mp_coor[0]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F:176:67: - - 176 | INTEGER, DIMENSION(2) :: mp_coor, mp_dims - | ^ -note: 'mp_coor[0]' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F:220:13: - - 220 | IF (dist2_prv(iatom, 1) == mp_coor(2)) nparticle_local_col(ikind) = nparticle_local_col(ikind) + 1 - | ^ -Warning: 'mp_coor[1]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F:176:67: - - 176 | INTEGER, DIMENSION(2) :: mp_coor, mp_dims - | ^ -note: 'mp_coor[1]' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tensors_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'post_scf_bandstructure_types.o' 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_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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_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="\"Sun Apr 13 06:28:22 +14 2025\"" -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_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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:26 +14 2025\"" -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 '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 /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/cp_linked_list_pw.F cp_linked_list_pw.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cube_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/cube_utils.F cube_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dgs.o' 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/dgs.F dgs.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cube_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/cube_utils.F cube_utils.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'input_cp2k_rsgrid.o' 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_rsgrid.F input_cp2k_rsgrid.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_realspace_grid_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/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="\"Fri May 15 10:04:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:28:33 +14 2025\"" -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="\"Sun Apr 13 06:28:33 +14 2025\"" -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="\"Sun Apr 13 06:28:33 +14 2025\"" -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="\"Sun Apr 13 06:28:33 +14 2025\"" -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="\"Sun Apr 13 06:28:33 +14 2025\"" -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="\"Sun Apr 13 06:28:33 +14 2025\"" -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="\"Sun Apr 13 06:28:33 +14 2025\"" -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 '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 'rpa_gw_ic.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: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="\"Fri May 15 10:04:25 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:34 +14 2025\"" -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:560: update target 'pme_tools.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 '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: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 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_task_list.o grid_replay.o +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: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="\"Fri May 15 10:04:25 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 '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="\"Fri May 15 10:04:26 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:36 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:36 +14 2025\"" -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 /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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:26 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dgs.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:37 +14 2025\"" -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 /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="\"Fri May 15 10:04:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'post_scf_bandstructure_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="\"Sun Apr 13 06:28:38 +14 2025\"" -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 '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 /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 'rs_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/rs_methods.F rs_methods.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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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 -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pw/rs_methods.F 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="\"Sun Apr 13 06:28:38 +14 2025\"" -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 'pw_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/pw_spline_utils.F 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="\"Sun Apr 13 06:28:38 +14 2025\"" -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="\"Sun Apr 13 06:28:38 +14 2025\"" -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="\"Sun Apr 13 06:28:38 +14 2025\"" -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_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_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="\"Sun Apr 13 06:28:38 +14 2025\"" -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 /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="\"Sun Apr 13 06:28:38 +14 2025\"" -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="\"Sun Apr 13 06:28:38 +14 2025\"" -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 /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="\"Fri May 15 10:04:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dielectric_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="\"Sun Apr 13 06:28:39 +14 2025\"" -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 +/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="\"Sun Apr 13 06:28:39 +14 2025\"" -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: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 'xc_derivative_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/kg_vertex_coloring_methods.F:120:36: @@ -7128,40 +7108,50 @@ 174 | INTEGER :: color, handle, i, j, newcolor, & | ^ note: 'newcolor' 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="\"Sun Apr 13 06:28:39 +14 2025\"" -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 /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/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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'qs_linres_nmr_epr_common_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="\"Sun Apr 13 06:28:39 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho_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="\"Fri May 15 10:04:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'mt_util.mod' due to: target does not exist +/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:560: update target 'qs_linres_nmr_epr_common_utils.mod' due to: target does not exist true /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] -/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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:28:39 +14 2025\"" -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 '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="\"Fri May 15 10:04:29 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_vertex_coloring_methods.mod' due to: target does not exist -true /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="\"Fri May 15 10:04:29 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:40 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:40 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kg_vertex_coloring_methods.mod' due to: target does not exist +true +/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 '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="\"Sun Apr 13 06:28:40 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:40 +14 2025\"" -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 +/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/src/qs_dispersion_nonloc.F:842:68: 842 | h_prefactor(i_grid) = h_prefactor(i_grid) + prefactor @@ -7172,30 +7162,27 @@ 751 | dq_6, e, f, P, prefactor, tmp_1_2, & | ^ note: 'prefactor' was declared here -/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:149:36: - - 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 'xc_derivative_set_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_wf_history_types.mod' due to: target does not exist +/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="\"Sun Apr 13 06:28:41 +14 2025\"" -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/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" +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_io.o dbt_allocate_wrap.o dbt_types.o dbt_reshape_ops.o dbt_split.o dbt_array_list_methods.o dbt_methods.o dbt_api.o dbt_block.o dbt_index.o dbt_test.o +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'dbt_api.mod' due to: target does not exist true +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 /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 '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="\"Fri May 15 10:04:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:43 +14 2025\"" -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="\"Sun Apr 13 06:28:43 +14 2025\"" -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_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) @@ -7218,61 +7205,91 @@ note: 'z_ab' was declared here /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:560: update target 'gw_communication.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 '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 '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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:47 +14 2025\"" -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 /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:47 +14 2025\"" -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="\"Sun Apr 13 06:28:47 +14 2025\"" -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 /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:47 +14 2025\"" -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 /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="\"Fri May 15 10:04:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pair_potential_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="\"Sun Apr 13 06:28:47 +14 2025\"" -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="\"Sun Apr 13 06:28:47 +14 2025\"" -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 'dg_rho0_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_env_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 'pair_potential_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="\"Sun Apr 13 06:28:47 +14 2025\"" -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 +/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 + | ^ +Warning: 'mp_coor[0]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F:176:67: + + 176 | INTEGER, DIMENSION(2) :: mp_coor, mp_dims + | ^ +note: 'mp_coor[0]' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F:220:13: + + 220 | IF (dist2_prv(iatom, 1) == mp_coor(2)) nparticle_local_col(ikind) = nparticle_local_col(ikind) + 1 + | ^ +Warning: 'mp_coor[1]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_tensors_types.F:176:67: + + 176 | INTEGER, DIMENSION(2) :: mp_coor, mp_dims + | ^ +note: 'mp_coor[1]' was declared here /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="\"Fri May 15 10:04:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:48 +14 2025\"" -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 /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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_poisson_read_input.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="\"Sun Apr 13 06:28:48 +14 2025\"" -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_tensors_types.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:48 +14 2025\"" -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:513: update target 'post_scf_bandstructure_types.o' 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_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/Makefile:560: update target 'xas_tdp_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="\"Fri May 15 10:04:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:28:48 +14 2025\"" -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 /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 'qmmm_gaussian_init.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_nonloc.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:49 +14 2025\"" -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/src/semi_empirical_types.F:457:26: 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 +true +/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/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="\"Sun Apr 13 06:28:49 +14 2025\"" -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 'dielectric_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_types.mod' due to: target does not exist @@ -7283,19 +7300,11 @@ /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="\"Fri May 15 10:04:33 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:33 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:33 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/src/pw/dirichlet_bc_methods.F:898:13: - - 898 | IF (h .GT. MINVAL((/Lx, Lz/))) THEN - | ^ -Warning: 'h' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/dirichlet_bc_methods.F:813:89: - - 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="\"Sun Apr 13 06:28:51 +14 2025\"" -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="\"Sun Apr 13 06:28:51 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:51 +14 2025\"" -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/Makefile:560: update target 'rpa_gw_ic.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int3_utils.F:118:32: 118 | add = (pij + pkl)**2 @@ -7320,17 +7329,6 @@ 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="\"Fri May 15 10:04:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:903:70: - - 903 | INTEGER :: i, idirVal, j, k - | ^ -note: 'idirval' was declared here /build/reproducible-path/cp2k-2025.1/src/semi_empirical_par_utils.F:978:13: 978 | IF (f1 < f2) THEN @@ -7351,10 +7349,7 @@ 951 | REAL(KIND=dp) :: a1, a2, delta, dsq, ev4, ev8, f1, f2, & | ^ note: 'f2' was declared here -/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="\"Sun Apr 13 06:28:53 +14 2025\"" -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 @@ -7365,41 +7360,41 @@ 254 | FUNCTION get_se_basis(sep, l) RESULT(n) | ^ note: 'n' 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="\"Fri May 15 10:04:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'semi_empirical_par_utils.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'semi_empirical_mpole_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_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="\"Fri May 15 10:04:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_poisson.F input_cp2k_poisson.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc_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_ddapc_methods.F cp_ddapc_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_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/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="\"Fri May 15 10:04:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:54 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:54 +14 2025\"" -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/dirichlet_bc_methods.F:898:13: + + 898 | IF (h .GT. MINVAL((/Lx, Lz/))) THEN + | ^ +Warning: 'h' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pw/dirichlet_bc_methods.F:813:89: + + 813 | REAL(dp) :: cntrlaxis_lb, cntrlaxis_ub, h, Lx, Ly, & + | ^ +note: 'h' 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 'cp_spline_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_util.mod' due to: target does not exist +/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 '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: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="\"Fri May 15 10:04:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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="\"Sun Apr 13 06:28:56 +14 2025\"" -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/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:903:70: + + 903 | INTEGER :: i, idirVal, j, k + | ^ +note: 'idirval' was declared here /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_utils.F:315:38: 315 | add = (pij + pkl)**2 @@ -7430,6 +7425,14 @@ 244 | 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 '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 +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/input_cp2k_poisson.F input_cp2k_poisson.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_ddapc_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_ddapc_methods.F cp_ddapc_methods.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_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/xc/xc_util.F xc_util.F90 /build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_utils.F:1215:38: 1215 | add = (pij + pkl)**2 @@ -7460,12 +7463,44 @@ 1144 | iscreen, shortrange, pc_coulomb_int, max_multipole, itype, eval) RESULT(res) | ^ note: 'res' was declared here +/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="\"Sun Apr 13 06:28:57 +14 2025\"" -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="\"Sun Apr 13 06:28:57 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_int_gks.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:57 +14 2025\"" -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="\"Sun Apr 13 06:28:57 +14 2025\"" -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 '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 +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="\"Sun Apr 13 06:28:58 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:28:58 +14 2025\"" -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 +/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="\"Sun Apr 13 06:28:58 +14 2025\"" -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/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 rs_pw_interface.o cp_spline_utils.o pw_env_types.o gaussian_gridlevels.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 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_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/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="\"Sun Apr 13 06:29:02 +14 2025\"" -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="\"Sun Apr 13 06:29:02 +14 2025\"" -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/pw/ps_implicit_methods.F:965:92: 965 | CALL ps_implicit_report_ehartree(ps_implicit_env, outp_unit, ehartree/vol_scfac) @@ -7476,17 +7511,6 @@ 777 | pres_error, tol, vol_scfac | ^ note: 'vol_scfac' was declared here -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 gaussian_gridlevels.o pw_env_types.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 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ewald_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/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="\"Fri May 15 10:04:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/semi_empirical_int_utils.F:1920:42: 1920 | sb_d = (sqb_d*r - sqb*r_d)*r2i @@ -7581,1106 +7605,61 @@ true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kpp1_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_kpp1_env_types.F qs_kpp1_env_types.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:149:36: + + 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:513: update target 'xc_b97.o' 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.F 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="\"Sun Apr 13 06:29:03 +14 2025\"" -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_cs1.o' 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_cs1.F 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="\"Sun Apr 13 06:29:03 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_exchange_gga.o' 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_exchange_gga.F 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="\"Sun Apr 13 06:29:03 +14 2025\"" -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_hcth.o' 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_hcth.F xc_hcth.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xc_ke_gga.o' 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_ke_gga.F 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="\"Sun Apr 13 06:29:03 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:04 +14 2025\"" -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_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 /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="\"Sun Apr 13 06:29:04 +14 2025\"" -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="\"Sun Apr 13 06:29:04 +14 2025\"" -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_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="\"Sun Apr 13 06:29:04 +14 2025\"" -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_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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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="\"Sun Apr 13 06:29:04 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:04 +14 2025\"" -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 /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="\"Sun Apr 13 06:29:04 +14 2025\"" -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_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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:29:04 +14 2025\"" -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_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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:29:05 +14 2025\"" -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_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="\"Sun Apr 13 06:29:05 +14 2025\"" -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 /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 -/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 -/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 -/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 -/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 -/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/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 -/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 -/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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'semi_empirical_int_utils.mod' due to: target does not exist -true -/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="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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) - | ^ -Warning: 'trrr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:613:78: - - 613 | 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_zunger.F:695:58: - - 695 | + 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_zunger.F:613:84: - - 613 | 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_zunger.F:703:74: - - 703 | + 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_zunger.F:613:95: - - 613 | 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_zunger.F:717:62: - - 717 | + 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_zunger.F:614:69: - - 614 | tzz, tzzz - | ^ -note: 'tzzz' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:670:37: - - 670 | 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_zunger.F:613:67: - - 613 | 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_zunger.F:613:99: - - 613 | 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_zunger.F:679:56: - - 679 | + 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_zunger.F:613:72: - - 613 | 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_zunger.F:679:56: - - 679 | + 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_zunger.F:613:89: - - 613 | 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_zunger.F:614:63: - - 614 | tzz, tzzz - | ^ -Warning: 'tzz' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:434:57: - - 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:339:69: - - 339 | vol_scfac - | ^ -note: 'vol_scfac' 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 - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:62: - - 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & - | ^ -note: 't1' 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 - | ^ -Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:72: - - 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & - | ^ -note: 't14' 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 - | ^ -Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:77: - - 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & - | ^ -note: 't15' 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 - | ^ -Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:86: - - 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & - | ^ -note: 't2' 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 - | ^ -Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:243:68: - - 243 | t24, t25, t3, t32, t33, t36, t4, t41, & - | ^ -note: 't25' 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 - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:243:77: - - 243 | t24, t25, t3, t32, t33, t36, t4, t41, & - | ^ -note: 't32' 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 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:67: - - 244 | t46, t5, t6, t62, t64, t67, t68, t7, & - | ^ -note: 't5' 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 - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:71: - - 244 | t46, t5, t6, t62, t64, t67, t68, t7, & - | ^ -note: 't6' 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 - | ^ -Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:86: - - 244 | t46, t5, t6, t62, t64, t67, t68, t7, & - | ^ -note: 't67' 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 - | ^ -Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:91: - - 244 | t46, t5, t6, t62, t64, t67, t68, t7, & - | ^ -note: 't68' 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 - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:95: - - 244 | t46, t5, t6, t62, t64, t67, t68, t7, & - | ^ -note: 't7' 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 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:245:72: - - 245 | t82, t86, t9, t91, t95 - | ^ -note: 't9' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kpp1_env_types.mod' due to: target does not exist -true -/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:540:78: - - 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:540:84: - - 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:540:95: - - 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:541:69: - - 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:540:67: - - 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:540:99: - - 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:540:72: - - 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:540:89: - - 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:541:63: - - 541 | tzz, tzzz - | ^ -Warning: 'tzz' may be used uninitialized [-Wmaybe-uninitialized] -/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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_hcth.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'xc_xlda_hole_t_c_lr.mod' due to: target does not exist -true -/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:228:68: - - 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:228:76: - - 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:228:80: - - 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: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:842:86: - - 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:842:92: - - 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:842:97: - - 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:843:13: - - 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:843:19: - - 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:843:25: - - 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:843:37: - - 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:843:43: - - 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:843:48: - - 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:843:54: - - 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:843:66: - - 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:843:72: - - 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:843:83: - - 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:843:89: - - 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:843:95: - - 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:844:13: - - 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:844:19: - - 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:844:24: - - 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:844:30: - - 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:844:36: - - 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:844:42: - - 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:844:48: - - 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:844:54: - - 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:844:60: - - 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:844:66: - - 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:844:72: - - 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:844:78: - - 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:844:89: - - 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:845:72: - - 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:846:46: - - 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:846:75: - - 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:847:42: - - 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:847:59: - - 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:848:51: - - 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:849:32: - - 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:849:61: - - 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:849:78: - - 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:850:12: - - 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:850:17: - - 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:850:28: - - 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:850:55: - - 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:851:12: - - 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_xpbe_hole_t_c_lr.F:851:17: - - 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_xpbe_hole_t_c_lr.F:851:66: - - 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: - - 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:851:71: - - 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: - - 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:851:82: - - 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: - - 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:852:40: - - 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: - - 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:852:51: - - 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:852:67: - - 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:852:82: - - 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:852:87: - - 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:852:91: - - 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:852:96: - - 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:853:12: - - 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:853:17: - - 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:853:22: - - 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:853:31: - - 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:853:36: - - 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:853:41: - - 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:853:46: - - 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:853:51: - - 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:853:56: - - 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:853:61: - - 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:853:66: - - 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:853:81: - - 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:852:18: - - 852 | t529, t53, t531, t54, t545, t56, t579, t58, t581, t586, t6, t60, t61, t64, t65, t7, t74, & - | ^ -note: 't53' 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="\"Sun Apr 13 06:29:05 +14 2025\"" -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/src/xc/xc_lyp_adiabatic.F:557:43: 557 | t132 = 0.40e1_dp*t1*t129*t10 @@ -9171,40 +8150,372 @@ 462 | t73, t74, t76, t77, t78, t80, t83, t84, t85, t86, t87, t9, t90, t91, t94, t95, t96, t97 | ^ note: 't96' was declared here -/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: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_xbeef.F:489:89: +/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 +/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 +/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="\"Sun Apr 13 06:29:05 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:05 +14 2025\"" -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="\"Sun Apr 13 06:29:05 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:05 +14 2025\"" -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 +/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 +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:695:58: - 489 | e_ndrho_spin(ii) = e_ndrho_spin(ii) + (SUM(de_leg*a)*dt*ds_ndrho*e_ueg)*sx + 695 | + 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_zunger.F:613:78: + + 613 | 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_zunger.F:695:58: + + 695 | + 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_zunger.F:613:84: + + 613 | 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_zunger.F:703:74: + + 703 | + 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_zunger.F:613:95: + + 613 | 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_zunger.F:717:62: + + 717 | + 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_zunger.F:614:69: + + 614 | tzz, tzzz + | ^ +note: 'tzzz' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:670:37: + + 670 | 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_zunger.F:613:67: + + 613 | 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_zunger.F:613:99: + + 613 | 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_zunger.F:679:56: + + 679 | + 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_zunger.F:613:72: + + 613 | 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_zunger.F:679:56: + + 679 | + 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_zunger.F:613:89: + + 613 | REAL(KIND=dp) :: rho, tr, trr, trrr, trrz, trz, trzz, tz, & | ^ -Warning: 'ds_ndrho' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:425:68: +note: 'trz' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_perdew_zunger.F:614:63: - 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & + 614 | tzz, tzzz + | ^ +Warning: 'tzz' 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="\"Sun Apr 13 06:29:07 +14 2025\"" -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 +/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/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 +/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:540:29: + + 540 | t78 = beta*t77 + | ^ +Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:419:25: + + 419 | Arhorhorho, beta, beta_1_1, beta_2_1, beta_3_1, beta_4_1, e_c_u_0, e_c_u_01rho, & + | ^ +note: 'beta' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:563:49: + + 563 | Fx = 0.1e1_dp + kappa - kappa/t105 + | ^ +Warning: 'kappa' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:426:66: + + 426 | k_s1rhorho, k_s2rho, k_srho, k_srho1rho, k_srhorho, kappa, kf, kf2rho, kfrho, kfrhorho, & + | ^ +note: 'kappa' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:562:45: + + 562 | t105 = 0.1e1_dp + mu*t101*t103 + | ^ +Warning: 'mu' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:427:24: + + 427 | kfrhorhorho, mu, my_norm_drho, my_rho, p_1, p_2, rs, rs2rho, rsrho, rsrhorho, & + | ^ +note: 'mu' 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="\"Sun Apr 13 06:29:08 +14 2025\"" -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 +/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="\"Sun Apr 13 06:29:08 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:08 +14 2025\"" -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 +/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/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:540:78: + + 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:540:84: + + 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:540:95: + + 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:541:69: + + 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:540:67: + + 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:540:99: + + 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:540:72: + + 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:540:89: + + 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:541:63: + + 541 | tzz, tzzz + | ^ +Warning: 'tzz' may be used uninitialized [-Wmaybe-uninitialized] +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:08 +14 2025\"" -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="\"Sun Apr 13 06:29:08 +14 2025\"" -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 +/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 +/build/reproducible-path/cp2k-2025.1/src/pw/ps_implicit_methods.F:434:57: + + 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:339:69: + + 339 | vol_scfac + | ^ +note: 'vol_scfac' was declared here +/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="\"Sun Apr 13 06:29:08 +14 2025\"" -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 +/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="\"Sun Apr 13 06:29:08 +14 2025\"" -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 'ewald_environment_types.mod' due to: target does not exist +true +/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/Makefile:560: update target 'cp_ddapc_methods.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kpp1_env_types.mod' due to: target does not exist +true +/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 + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:62: + + 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & + | ^ +note: 't1' 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 + | ^ +Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:72: + + 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & + | ^ +note: 't14' 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 + | ^ +Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:77: + + 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & + | ^ +note: 't15' 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 + | ^ +Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:242:86: + + 242 | REAL(KIND=dp) :: t1, t12, t14, t15, t19, t2, t22, t23, & + | ^ +note: 't2' 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 + | ^ +Warning: 't25' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:243:68: + + 243 | t24, t25, t3, t32, t33, t36, t4, t41, & | ^ -note: 'ds_ndrho' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbeef.F:488:109: +note: 't25' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: - 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:425:76: + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:243:77: - 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: + 243 | t24, t25, t3, t32, t33, t36, t4, t41, & + | ^ +note: 't32' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:288:102: - 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:425:80: + 288 | /0.3e1_dp - C*t15*t3*t6*t4*t25))*sx + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:67: - 425 | REAL(kind=dp) :: ds_ndrho, ds_rho, dt, e_ueg, e_ueg_drho, & - | ^ -note: 'dt' was declared here + 244 | t46, t5, t6, t62, t64, t67, t68, t7, & + | ^ +note: 't5' 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 + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:71: + + 244 | t46, t5, t6, t62, t64, t67, t68, t7, & + | ^ +note: 't6' 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 + | ^ +Warning: 't67' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:86: + + 244 | t46, t5, t6, t62, t64, t67, t68, t7, & + | ^ +note: 't67' 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 + | ^ +Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:91: + + 244 | t46, t5, t6, t62, t64, t67, t68, t7, & + | ^ +note: 't68' 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 + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:244:95: + + 244 | t46, t5, t6, t62, t64, t67, t68, t7, & + | ^ +note: 't7' 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 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xlda_hole_t_c_lr.F:245:72: + + 245 | t82, t86, t9, t91, t95 + | ^ +note: 't9' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2453:35: 2453 | t274 = t101*t104*t108*t110 @@ -9800,6 +9111,16 @@ 2102 | t278 = t102*t103*t108 | ^ Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] +/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 + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:267:78: + + 267 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t100, t1002, & + | ^ +note: 't1' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:43: 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & @@ -9820,16 +9141,41 @@ 2100 | t272 = t101*t104*t108*t110 | ^ Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:406:67: + + 406 | 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:267:83: + + 267 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t100, t1002, & + | ^ +note: 't10' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:55: 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: 't104' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:408:59: + + 408 | 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_xbecke_roussel.F:2104:25: 2104 | t285 = t105/t283 | ^ Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:268:77: + + 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & + | ^ +note: 't11' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:406:67: + + 406 | 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_xbecke_roussel.F:1929:61: 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & @@ -9840,46 +9186,136 @@ 2103 | t283 = t106**2 | ^ Warning: 't106' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:269:86: + + 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/src/xc/xc_xbecke88_long_range.F:355:27: + + 355 | t75 = t16**2 + | ^ +Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:67: 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: 't106' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:50: + + 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't16' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:354:28: + + 354 | t72 = t71*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:67: + + 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't17' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2102:30: 2102 | t278 = t102*t103*t108 | ^ Warning: 't108' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:408:59: + + 408 | 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:272:96: + + 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't18' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:73: 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: 't108' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:578:29: + + 578 | t576 = t2*t501 + | ^ +Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:273:35: + + 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't2' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2233:26: 2233 | *t110*t273 | ^ Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:382:28: + + 382 | t126 = t21**2 + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:79: 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/src/xc/xc_xbecke88_long_range.F:273:52: + + 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't21' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:351:37: + + 351 | t68 = my_rho*t22*omega + | ^ +Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] /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] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:274:38: + + 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ +note: 't22' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:372:34: + + 372 | t104 = 0.1e1_dp/t23 + | ^ +Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:85: 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & | ^ note: 't110' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:274:67: + + 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ +note: 't23' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:404:74: + + 404 | 0.2222222224e0_dp*t24*t98*t155)*sx + | ^ +Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2107:42: 2107 | *t110*t273 - t109*t112/t26 | ^ Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:275:12: + + 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ +note: 't24' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:373:30: + + 373 | t105 = t28*t104 + | ^ +Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1929:97: 1929 | REAL(KIND=dp) :: t1, t100, t101, t102, t103, t104, t105, t106, t108, t109, t110, t111, t112, & @@ -9890,21 +9326,56 @@ 2099 | t269 = REAL(t100, KIND=dp)/t115/t114 | ^ Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:18: + + 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't28' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:378:31: + + 378 | t116 = omega*t29 + | ^ +Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:13: 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: 't114' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:47: + + 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't29' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:406:67: + + 406 | 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_xbecke_roussel.F:2099:45: 2099 | t269 = REAL(t100, KIND=dp)/t115/t114 | ^ Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:63: + + 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't3' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:376:26: + + 376 | t109 + | ^ +Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:19: 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: 't115' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:68: + + 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't30' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2128:56: 2128 | - t139*t269*t297/0.24e2_dp)*sx @@ -9915,16 +9386,46 @@ 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: 't116' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:376:26: + + 376 | t109 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:79: + + 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't31' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2097:27: 2097 | t265 = t117*R*t257 | ^ Warning: 't117' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:401:26: + + 401 | t151 + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:24: + + 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't36' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:31: 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: 't117' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:386:28: + + 386 | t132 = pi*t37 + | ^ +Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:41: + + 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't37' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2228:25: 2228 | t630 = t614*t118 @@ -9935,11 +9436,21 @@ 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: 't118' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:401:26: + + 401 | t151 + | ^ +Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2078:24: 2078 | t225 = t224*t12 | ^ Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:58: + + 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't38' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:48: 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & @@ -9950,11 +9461,31 @@ 2237 | t658 = t121*t599 | ^ Warning: 't121' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:390:29: + + 390 | t137 = t39*t94 + | ^ +Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:81: + + 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't39' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:54: 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: 't121' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:384:30: + + 384 | t128 = t40*t127 + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:12: + + 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't40' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: 2247 | /0.3e1_dp @@ -9965,16 +9496,41 @@ 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: 't123' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:416:59: + + 416 | *t52 - 0.5000000001e0_dp*t41*t172*t46 + | ^ +Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2218:25: 2218 | t601 = t600*t124 | ^ Warning: 't124' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:47: + + 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't41' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:387:30: + + 387 | t133 = t42*t132 + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:66: 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: 't124' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:76: + + 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't42' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:385:34: + + 385 | t130 = t128*t43*t94 + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: 2247 | /0.3e1_dp @@ -9985,11 +9541,31 @@ 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: 't125' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:93: + + 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't43' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: 2247 | /0.3e1_dp | ^ Warning: 't129' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:371:49: + + 371 | 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:280:18: + + 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't44' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:416:59: + + 416 | *t52 - 0.5000000001e0_dp*t41*t172*t46 + | ^ +Warning: 't46' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:78: 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & @@ -10000,11 +9576,26 @@ 2107 | *t110*t273 - t109*t112/t26 | ^ Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:280:47: + + 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't46' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:398:58: + + 398 | *t143 - 0.5555555558e-1_dp*t146*t148 + | ^ +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:83: 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: 't13' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:281:44: + + 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't47' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2241:25: 2241 | t677 = t132*t599 @@ -10015,16 +9606,36 @@ 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: 't132' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:395:30: + + 395 | t147 = t49*t135 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: 2247 | /0.3e1_dp | ^ Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:281:96: + + 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't49' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:359:31: + + 359 | t84 = 1 + t5*t10 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1930:95: 1930 | t114, t115, t116, t117, t118, t119, t12, t121, t123, t124, t125, t129, t13, t132, t134, & | ^ note: 't134' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:23: + + 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't5' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: 2247 | /0.3e1_dp @@ -10035,41 +9646,101 @@ 1931 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & | ^ note: 't135' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:393:34: + + 393 | 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:282:52: + + 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't51' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2128:56: 2128 | - t139*t269*t297/0.24e2_dp)*sx | ^ Warning: 't138' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:416:59: + + 416 | *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:282:75: + + 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't52' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1931:19: 1931 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & | ^ note: 't138' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:401:26: + + 401 | t151 + | ^ +Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2128:56: 2128 | - t139*t269*t297/0.24e2_dp)*sx | ^ Warning: 't139' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:54: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't55' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1931:25: 1931 | t135, t138, t139, t145, t152, t155, t158, t159, t162, t164, t165, t176, t179, t180, t181, & | ^ note: 't139' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:726:76: + + 726 | 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:284:36: + + 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't59' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2057:49: 2057 | *t4*t145*t19 - t176*t152/0.8e1_dp | ^ Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:365:65: + + 365 | 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_xbecke_roussel.F:1932:42: 1932 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & | ^ note: 't19' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:284:46: + + 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't6' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2057:49: 2057 | *t4*t145*t19 - t176*t152/0.8e1_dp | ^ Warning: 't20' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:404:74: + + 404 | 0.2222222224e0_dp*t24*t98*t155)*sx + | ^ +Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:284:51: + + 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't60' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1932:57: 1932 | t182, t183, t186, t188, t189, t19, t197, t2, t20, t201, t202, t205, t206, t209, t211, & @@ -10080,26 +9751,61 @@ 2107 | *t110*t273 - t109*t112/t26 | ^ Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:352:30: + + 352 | t69 = t7*my_rho + | ^ +Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:285:74: + + 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ +note: 't7' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1934:12: 1934 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & | ^ note: 't26' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:391:31: + + 391 | t140 = t8*my_rho + | ^ +Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2092:25: 2092 | t220*t225 | ^ Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:286:67: + + 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't8' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1934:53: 1934 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & | ^ note: 't27' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:587:35: + + 587 | *t36*t38*t586 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2177:23: 2177 | t490 = t28*t57 | ^ Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:268:33: + + 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & + | ^ +note: 't103' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:460:36: + + 460 | t289 = omega*t104*t27 + | ^ +Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1934:76: 1934 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & @@ -10110,6 +9816,16 @@ 2076 | t223 = 0.1e1_dp/t65/t29 | ^ Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:268:39: + + 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & + | ^ +note: 't104' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:587:35: + + 587 | *t36*t38*t586 + | ^ +Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1934:93: 1934 | t26, t261, t262, t263, t265, t266, t269, t27, t272, t273, t278, t28, t283, t285, t29, & @@ -10120,6 +9836,16 @@ 2063 | t188 = t30*gamma | ^ Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:268:52: + + 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & + | ^ +note: 't105' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:516:66: + + 516 | *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_xbecke_roussel.F:1935:28: 1935 | t297, t299, t3, t30, t301, t303, t306, t307, t308, t31, t310, t312 @@ -10130,16 +9856,41 @@ 2047 | t155 = 0.1e1_dp/t35 | ^ Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:268:65: + + 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & + | ^ +note: 't109' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1936:62: 1936 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & | ^ note: 't35' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:489:68: + + 489 | 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:268:90: + + 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & + | ^ +note: 't112' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2174:31: 2174 | - t36*t37*gamma | ^ Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:545:70: + + 545 | *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:268:96: + + 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & + | ^ +note: 't113' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1936:85: 1936 | REAL(KIND=dp) :: t313, t321, t326, t329, t339, t343, t35, t351, t354, t355, t36, t363, t364, & @@ -10150,16 +9901,31 @@ 2174 | - t36*t37*gamma | ^ Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:785:32: + + 785 | t98*t1400 + | ^ +Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1937:24: 1937 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & | ^ note: 't37' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:269:48: + + 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & + | ^ +note: 't116' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2058:28: 2058 | t180 = 0.1e1_dp/t41 | ^ Warning: 't41' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:545:70: + + 545 | *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_xbecke_roussel.F:1937:93: 1937 | t365, t367, t37, t371, t375, t379, t383, t386, t388, t4, t404, t406, t408, t409, t41, & @@ -10170,6 +9936,16 @@ 2222 | t614 = t43*t612*t98 | ^ Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:269:68: + + 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & + | ^ +note: 't117' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:489:68: + + 489 | 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_xbecke_roussel.F:1938:35: 1938 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & @@ -10180,26 +9956,56 @@ 2061 | t183 = t7*t45 | ^ Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:269:81: + + 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & + | ^ +note: 't118' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1938:81: 1938 | t411, t412, t42, t428, t43, t430, t432, t434, t437, t439, t44, t441, t45, t453, t456, & | ^ note: 't45' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:545:70: + + 545 | *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_xbecke_roussel.F:2147:58: 2147 | *t379 - 0.80e2_dp/0.729e3_dp*t94*t216*t383 | ^ Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:269:92: + + 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & + | ^ +note: 't122' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1940:82: 1940 | t502, t503, t506, t508, t519, t52, t521, t523, t524, t526, t527, t53, t54, t543, t545, & | ^ note: 't54' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:464:30: + + 464 | t311 = t126*t21 + | ^ +Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2179:23: 2179 | t494 = t55*t66 | ^ Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:270:20: + + 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ +note: 't126' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:531:30: + + 531 | t473 = t94*t127 + | ^ +Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1941:24: 1941 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & @@ -10210,6 +10016,16 @@ 2051 | t164 = t57*gamma | ^ Warning: 't57' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:270:26: + + 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ +note: 't127' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:469:35: + + 469 | t321 = t128*t43*t258 + | ^ +Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1941:53: 1941 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & @@ -10220,6 +10036,16 @@ 2050 | t162 = t6*rho | ^ Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:270:32: + + 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ +note: 't128' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:451:69: + + 451 | 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_xbecke_roussel.F:1941:80: 1941 | t547, t549, t55, t552, t554, t556, t568, t57, t571, t58, t584, t599, t6, t600, t601, t61, & @@ -10230,6 +10056,16 @@ 2075 | t220 = t6*t63 | ^ Warning: 't63' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:270:45: + + 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ +note: 't130' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:523:36: + + 523 | t460 = t128*t132*t172 + | ^ +Warning: 't132' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1942:47: 1942 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 @@ -10240,6 +10076,16 @@ 2181 | t498 = t64*t76 | ^ Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:270:51: + + 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ +note: 't132' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:451:69: + + 451 | 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_xbecke_roussel.F:1942:70: 1942 | t612, t614, t62, t625, t627, t629, t63, t630, t632, t633, t64, t649 @@ -10250,6 +10096,11 @@ 2076 | t223 = 0.1e1_dp/t65/t29 | ^ Warning: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:270:57: + + 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ +note: 't133' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1943:26: 1943 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & @@ -10260,11 +10111,26 @@ 2066 | t201 = t66*gamma | ^ Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:536:30: + + 536 | t489 = t41*t135 + | ^ +Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1943:55: 1943 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & | ^ note: 't66' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:270:84: + + 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ +note: 't135' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:702:68: + + 702 | *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_xbecke_roussel.F:2147:58: 2147 | *t379 - 0.80e2_dp/0.729e3_dp*t94*t216*t383 @@ -10275,11 +10141,21 @@ 1943 | REAL(KIND=dp) :: t65, t651, t653, t655, t658, t66, t660, t662, t67, t674, t677, t690, t7, & | ^ note: 't7' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:270:90: + + 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ +note: 't136' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2183:24: 2183 | t502 = t74*t223 | ^ Warning: 't74' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:484:63: + + 484 | *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_xbecke_roussel.F:1944:27: 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 @@ -10290,41 +10166,106 @@ 2071 | t211 = t76*gamma | ^ Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:270:96: + + 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & + | ^ +note: 't137' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:32: 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^ note: 't76' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: + + 812 | *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:271:27: + + 271 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & + | ^ +note: 't140' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:477:35: + + 477 | t343 = t141*t135*t46 + | ^ +Warning: 't141' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2216:34: 2216 | + t36*t37/0.4e1_dp | ^ Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:271:54: + + 271 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & + | ^ +note: 't141' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:540:82: + + 540 | - 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_xbecke_roussel.F:1944:41: 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^ note: 't8' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:271:67: + + 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/src/xc/xc_xbecke_roussel.F:2227:29: 2227 | t629 = t600*t80*t129 | ^ Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:484:63: + + 484 | *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:271:87: + + 271 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & + | ^ +note: 't146' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:46: 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^ note: 't80' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:709:36: + + 709 | t41*t328*t466 + | ^ +Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: 2247 | /0.3e1_dp | ^ Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:13: + + 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't147' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:540:82: + + 540 | - 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_xbecke_roussel.F:1944:51: 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^ note: 't81' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:26: + + 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't148' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2216:34: 2216 | + t36*t37/0.4e1_dp @@ -10335,6 +10276,16 @@ 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^ note: 't9' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:489:68: + + 489 | 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:272:32: + + 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't151' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2238:24: 2238 | t660 = t612*t98 @@ -10345,2143 +10296,531 @@ 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^ note: 't98' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:425:30: + + 425 | t207 = t27*t155 + | ^ +Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:38: + + 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't155' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:498:31: + + 498 | t377 = t225*t168 + | ^ +Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:2247:25: 2247 | /0.3e1_dp | ^ Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:56: + + 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't168' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:563:41: + + 563 | - 0.20e1_dp*t6*t526 + | ^ +Warning: 't169' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1944:95: 1944 | t71, t72, t73, t74, t76, t77, t8, t80, t81, t82, t85, t88, t9, t91, t94, t97, t98, t99 | ^ note: 't99' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_tpss.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/xc/xc_pbe.F:540:29: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:62: - 540 | t78 = beta*t77 - | ^ -Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:419:25: + 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't169' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:587:35: - 419 | Arhorhorho, beta, beta_1_1, beta_2_1, beta_3_1, beta_4_1, e_c_u_0, e_c_u_01rho, & - | ^ -note: 'beta' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:563:49: + 587 | *t36*t38*t586 + | ^ +Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:73: - 563 | Fx = 0.1e1_dp + kappa - kappa/t105 - | ^ -Warning: 'kappa' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:426:66: + 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't172' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:550:69: - 426 | k_s1rhorho, k_s2rho, k_srho, k_srho1rho, k_srhorho, kappa, kf, kf2rho, kfrho, kfrhorho, & - | ^ -note: 'kappa' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:562:45: + 550 | *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:272:79: - 562 | t105 = 0.1e1_dp + mu*t101*t103 - | ^ -Warning: 'mu' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:427:24: + 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't173' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:587:35: - 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/src/xc/xc_xpbe_hole_t_c_lr.F:647:49: + 587 | *t36*t38*t586 + | ^ +Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:91: - 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:477:47: + 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & + | ^ +note: 't177' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:582:64: - 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: + 582 | *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:273:13: - 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:489:67: + 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't185' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:545:70: - 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: + 545 | *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:273:19: - 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:476:66: + 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't186' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:540:82: - 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: + 540 | - 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:273:25: - 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: + 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't190' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:545:70: - 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: + 545 | *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:273:31: - 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: + 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't196' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:495:30: - 475 | REAL(KIND=dp) :: p, pndrho, prho, q, qndrho, qrho, sndrho, srho, ssval, t1, t103, t104, & + 495 | t365 = t27*t200 + | ^ +Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:273:41: + + 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 | ^ -note: 'q' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: +note: 't200' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:550:69: - 761 | Clda)*sx - | ^ + 550 | *t24*t98*t496)*sx + | ^ Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:488:18: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:285:18: - 488 | t612, t64, t640, t65, t653, t667, t675, t677, t69, t7, t71, t716 + 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & | ^ note: 't64' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:761:34: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:493:94: - 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:484:44: + 493 | *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:285:59: - 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: + 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ +note: 't68' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:444:47: - 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:477:13: + 444 | 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:285:70: - 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: + 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ +note: 't69' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:433:29: - 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:483:81: + 433 | t225 = t71*t76 + | ^ +Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:285:79: - 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: + 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ +note: 't71' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:508:72: - 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:477:25: + 508 | *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:285:90: - 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: + 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & + | ^ +note: 't72' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:435:38: - 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:477:59: + 435 | 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:286:30: - 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: + 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't75' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:813:82: - 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:477:42: + 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:683:73: - 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: + 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_xbecke88_long_range.F:433:29: - 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:478:31: + 433 | t225 = t71*t76 + | ^ +Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:286:35: - 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: + 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't76' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:447:30: - 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:478:37: + 447 | t255 = t77*t254 + | ^ +Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:803:30: - 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: + 803 | t125 = t124*t11 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:286:46: - 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:476:54: + 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't77' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:43: - 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: + 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_xbecke88_long_range.F:505:55: - 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:479:36: + 505 | t87 + 0.8000000000e1_dp*t393*t397 + | ^ +Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:794:28: - 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: + 794 | t113 = t16**2 + | ^ +Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:53: - 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:475:86: + 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: - 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: + 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_xbecke88_long_range.F:286:51: - 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:476:13: + 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't79' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:17: - 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: + 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_xbecke88_long_range.F:443:38: - 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:476:19: + 443 | 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:286:78: - 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: + 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't84' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:813:82: - 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:476:25: + 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_xbecke88_long_range.F:443:38: - 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: + 443 | 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:286:95: - 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:476:31: + 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & + | ^ +note: 't85' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:66: - 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: + 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: - 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:476:37: + 808 | t133 = t26**(-0.20e1_dp) + | ^ +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:560:66: - 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: + 560 | 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_vwn.F:690:91: - 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:476:42: + 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: - 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: + 806 | t130 = t27*t96 + | ^ +Warning: 't27' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:287:18: - 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:476:48: + 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ +note: 't86' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:505:55: - 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: + 505 | t87 + 0.8000000000e1_dp*t393*t397 + | ^ +Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:691:36: - 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:476:60: + 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: - 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: + 852 | t206 = -t3 - t146 + | ^ +Warning: 't3' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:287:35: - 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:476:72: + 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ +note: 't87' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:434:30: - 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: + 434 | t226 = t225*t90 + | ^ +Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:692:46: - 773 | t409*(t281 - t235*t41*t292)) + 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ -Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:476:83: +note: 't3' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:810:30: - 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: + 810 | t136 = t32*t114 + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:693:18: - 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:476:89: + 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_xbecke88_long_range.F:287:46: - 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: + 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ +note: 't90' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:508:72: - 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:476:95: + 508 | *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_vwn.F:813:82: - 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: + 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:694:89: - 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:477:30: - - 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:477:36: - - 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:477:53: - - 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:477:65: - - 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:477:71: - - 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:477:77: - - 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:477:83: - - 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:477:89: - - 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:477:95: - - 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:478:13: - - 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:478:19: - - 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:478:43: - - 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:478:48: - - 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:478:54: - - 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:478:60: - - 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:478:66: - - 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:478:72: - - 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:478:78: - - 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:478:84: - - 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:478:90: - - 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:478:96: - - 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:479:13: - - 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:479:18: - - 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:479:24: - - 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:479:30: - - 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:479:42: - - 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:479:48: - - 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:479:58: - - 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:479:69: - - 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:480:12: - - 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:481:12: - - 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:481:65: - - 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:482:65: - - 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:483:12: - - 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:483:35: - - 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:483:58: - - 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:484:12: - - 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:484:29: - - 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:485:54: - - 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:485:71: - - 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:486:45: - - 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:486:62: - - 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/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/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/pw/ps_implicit_methods.F:1101:82: - - 1101 | REAL(dp) :: tile_volume, vol_scfac - | ^ -note: 'vol_scfac' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:486:73: - - 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:487:35: - - 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:487:51: - - 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:487:67: - - 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:488:29: - - 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:488:62: - - 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:488:67: - - 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:489:44: - - 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:489:94: - - 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:490:12: - - 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:490:17: - - 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:490:22: - - 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:490:37: - - 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:490:42: - - 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:490:47: - - 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:490:57: - - 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:486:96: - - 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/Makefile:560: update target 'xc_lyp.mod' due to: target does not exist -true -/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 - | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:267:78: - - 267 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t100, t1002, & - | ^ -note: 't1' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:406:67: - - 406 | 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:267:83: - - 267 | REAL(kind=dp) :: Cx, epsilon_rho43, my_epsilon_rho, my_ndrho, my_rho, t1, t10, t100, t1002, & - | ^ -note: 't10' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:408:59: - - 408 | 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:268:77: - - 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & - | ^ -note: 't11' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:406:67: - - 406 | 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:269:86: - - 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/src/xc/xc_xbecke88_long_range.F:355:27: - - 355 | t75 = t16**2 - | ^ -Warning: 't16' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:50: - - 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't16' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:354:28: - - 354 | t72 = t71*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:67: - - 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't17' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:408:59: - - 408 | 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:272:96: - - 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't18' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:578:29: - - 578 | t576 = t2*t501 - | ^ -Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:273:35: - - 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't2' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:382:28: - - 382 | t126 = t21**2 - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:273:52: - - 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't21' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:351:37: - - 351 | t68 = my_rho*t22*omega - | ^ -Warning: 't22' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:274:38: - - 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't22' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:372:34: - - 372 | t104 = 0.1e1_dp/t23 - | ^ -Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:274:67: - - 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't23' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:404:74: - - 404 | 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:275:12: - - 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't24' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:373:30: - - 373 | t105 = t28*t104 - | ^ -Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:18: - - 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't28' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:378:31: - - 378 | t116 = omega*t29 - | ^ -Warning: 't29' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:47: - - 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't29' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:406:67: - - 406 | 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:276:63: - - 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't3' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:376:26: - - 376 | t109 - | ^ -Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:68: - - 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't30' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:376:26: - - 376 | t109 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:79: - - 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't31' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:401:26: - - 401 | t151 - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:24: - - 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't36' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:386:28: - - 386 | t132 = pi*t37 - | ^ -Warning: 't37' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:41: - - 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't37' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:401:26: - - 401 | t151 - | ^ -Warning: 't38' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:58: - - 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't38' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:390:29: - - 390 | t137 = t39*t94 - | ^ -Warning: 't39' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:81: - - 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't39' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:384:30: - - 384 | t128 = t40*t127 - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:12: - - 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't40' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:416:59: - - 416 | *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:279:47: - - 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't41' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:387:30: - - 387 | t133 = t42*t132 - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:76: - - 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't42' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:385:34: - - 385 | 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:279:93: - - 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't43' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:371:49: - - 371 | 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:280:18: - - 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't44' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:416:59: - - 416 | *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:280:47: - - 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't46' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:398:58: - - 398 | *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:281:44: - - 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't47' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:395:30: - - 395 | t147 = t49*t135 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:281:96: - - 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't49' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:359:31: - - 359 | 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:282:23: - - 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't5' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:393:34: - - 393 | 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:282:52: - - 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't51' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:416:59: - - 416 | *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:282:75: - - 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't52' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:401:26: - - 401 | t151 - | ^ -Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:54: - - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't55' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:726:76: - - 726 | 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:284:36: - - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & - | ^ -note: 't59' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:365:65: - - 365 | 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:284:46: - - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & - | ^ -note: 't6' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:404:74: - - 404 | 0.2222222224e0_dp*t24*t98*t155)*sx - | ^ -Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:284:51: - - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & - | ^ -note: 't60' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:352:30: - - 352 | t69 = t7*my_rho - | ^ -Warning: 't7' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:285:74: - - 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & - | ^ -note: 't7' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:391:31: - - 391 | t140 = t8*my_rho - | ^ -Warning: 't8' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:286:67: - - 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't8' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:587:35: - - 587 | *t36*t38*t586 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:268:33: - - 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & - | ^ -note: 't103' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:460:36: - - 460 | 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:268:39: - - 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & - | ^ -note: 't104' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:587:35: - - 587 | *t36*t38*t586 - | ^ -Warning: 't105' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:268:52: - - 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & - | ^ -note: 't105' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:516:66: - - 516 | *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:268:65: - - 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & - | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:489:68: - - 489 | 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:268:90: - - 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & - | ^ -note: 't112' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:545:70: - - 545 | *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:268:96: - - 268 | t1009, t101, t1013, t103, t104, t1044, t105, t1069, t109, t1091, t11, t1102, t112, t113, & - | ^ -note: 't113' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:785:32: - - 785 | t98*t1400 - | ^ -Warning: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:269:48: - - 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & - | ^ -note: 't116' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:545:70: - - 545 | *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:269:68: - - 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & - | ^ -note: 't117' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:489:68: - - 489 | 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:269:81: - - 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & - | ^ -note: 't118' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:545:70: - - 545 | *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:269:92: - - 269 | t1136, t1141, t1146, t1153, t1156, t116, t1163, t1167, t117, t1177, t118, t12, t122, & - | ^ -note: 't122' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:464:30: - - 464 | t311 = t126*t21 - | ^ -Warning: 't126' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:270:20: - - 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't126' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:531:30: - - 531 | t473 = t94*t127 - | ^ -Warning: 't127' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:270:26: - - 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't127' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:469:35: - - 469 | t321 = t128*t43*t258 - | ^ -Warning: 't128' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:270:32: - - 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't128' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:451:69: - - 451 | 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:270:45: - - 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't130' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:523:36: - - 523 | 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:270:51: - - 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't132' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:451:69: - - 451 | 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:270:57: - - 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't133' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:536:30: - - 536 | t489 = t41*t135 - | ^ -Warning: 't135' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:270:84: - - 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't135' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:702:68: - - 702 | *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:270:90: - - 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't136' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:484:63: - - 484 | *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:270:96: - - 270 | t1220, t126, t127, t128, t1284, t130, t132, t133, t1334, t1341, t1345, t135, t136, t137, & - | ^ -note: 't137' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: - - 812 | *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:271:27: - - 271 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & - | ^ -note: 't140' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:477:35: - - 477 | 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:271:54: - - 271 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & - | ^ -note: 't141' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:540:82: - - 540 | - 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:271:67: - - 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/src/xc/xc_xbecke88_long_range.F:484:63: - - 484 | *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:271:87: - - 271 | t1370, t1396, t140, t1400, t1404, t1405, t141, t1412, t143, t1449, t1456, t146, t1467, & - | ^ -note: 't146' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:709:36: - - 709 | t41*t328*t466 - | ^ -Warning: 't147' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:13: - - 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't147' 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_xbecke88_long_range.F:540:82: - - 540 | - 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:272:26: - - 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't148' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:489:68: - - 489 | 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:272:32: - - 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't151' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:425:30: - - 425 | t207 = t27*t155 - | ^ -Warning: 't155' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:38: - - 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't155' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:498:31: - - 498 | t377 = t225*t168 - | ^ -Warning: 't168' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:56: - - 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't168' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:563:41: - - 563 | - 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:272:62: - - 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't169' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:587:35: - - 587 | *t36*t38*t586 - | ^ -Warning: 't172' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:73: - - 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't172' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:550:69: - - 550 | *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:272:79: - - 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't173' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:587:35: - - 587 | *t36*t38*t586 - | ^ -Warning: 't177' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:272:91: - - 272 | t147, t1472, t148, t151, t155, t1553, t16, t168, t169, t17, t172, t173, t176, t177, t18, & - | ^ -note: 't177' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:582:64: - - 582 | *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:273:13: - - 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't185' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:545:70: - - 545 | *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:273:19: - - 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't186' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:540:82: - - 540 | - 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:273:25: - - 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't190' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:545:70: - - 545 | *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:273:31: - - 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't196' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:495:30: - - 495 | t365 = t27*t200 - | ^ -Warning: 't200' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:273:41: - - 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't200' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:550:69: - - 550 | *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:285:18: - - 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & - | ^ -note: 't64' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:493:94: - - 493 | *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:285:59: - - 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & - | ^ -note: 't68' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:444:47: - - 444 | 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:285:70: - - 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & - | ^ -note: 't69' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:433:29: - - 433 | t225 = t71*t76 - | ^ -Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:285:79: - - 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & - | ^ -note: 't71' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:508:72: - - 508 | *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:285:90: - - 285 | t639, t64, t640, t641, t657, t667, t669, t677, t68, t687, t69, t7, t71, t716, t72, t722, & - | ^ -note: 't72' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:435:38: - - 435 | 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:286:30: - - 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't75' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:433:29: - - 433 | t225 = t71*t76 - | ^ -Warning: 't76' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:286:35: - - 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't76' 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_xbecke88_long_range.F:447:30: - - 447 | t255 = t77*t254 - | ^ -Warning: 't77' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:683:73: - - 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_xbecke88_long_range.F:286:46: - - 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't77' 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_xbecke88_long_range.F:505:55: - - 505 | t87 + 0.8000000000e1_dp*t393*t397 - | ^ -Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:43: - - 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_xbecke88_long_range.F:286:51: - - 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't79' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:53: - - 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_xbecke88_long_range.F:443:38: - - 443 | t250 = 0.1e1_dp/t85/t84 - | ^ -Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] -/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_xbecke88_long_range.F:286:78: - - 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't84' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:17: - - 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_xbecke88_long_range.F:443:38: - - 443 | t250 = 0.1e1_dp/t85/t84 - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/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_xbecke88_long_range.F:286:95: - - 286 | t735, t739, t746, t75, t76, t769, t77, t79, t791, t793, t8, t838, t84, t842, t846, t85, & - | ^ -note: 't85' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:66: - - 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_xbecke88_long_range.F:560:66: - - 560 | 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_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_xbecke88_long_range.F:287:18: - - 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 - | ^ -note: 't86' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:505:55: - - 505 | t87 + 0.8000000000e1_dp*t393*t397 - | ^ -Warning: 't87' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:690:91: - - 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_xbecke88_long_range.F:287:35: - - 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 - | ^ -note: 't87' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:434:30: - - 434 | t226 = t225*t90 - | ^ -Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/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_xbecke88_long_range.F:287:46: - - 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 - | ^ -note: 't90' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:691:36: - - 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_xbecke88_long_range.F:508:72: - - 508 | *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:287:51: + 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_xbecke88_long_range.F:287:51: 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 | ^ note: 't91' 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:692:46: - - 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_xbecke88_long_range.F:545:70: 545 | *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:287:62: - - 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 - | ^ -note: 't94' 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_xbecke88_long_range.F:493:94: - - 493 | *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_vwn.F:693:18: - - 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_xbecke88_long_range.F:287:67: - - 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 - | ^ -note: 't95' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:493:94: - - 493 | *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_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_xbecke88_long_range.F:288:26: - - 288 | REAL(kind=dp) :: t98, t99, xx - | ^ -note: 't98' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:694:89: - - 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_xbecke88_long_range.F:785:32: - - 785 | t98*t1400 - | ^ -Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:273:47: - - 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't207' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:695:59: 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_xbecke88_long_range.F:726:76: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:287:62: - 726 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't211' may be used uninitialized [-Wmaybe-uninitialized] + 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ +note: 't94' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:493:94: + + 493 | *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_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_xbecke88_long_range.F:273:58: - - 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't211' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:696:30: 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_xbecke88_long_range.F:726:76: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:287:67: - 726 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] + 287 | t857, t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961 + | ^ +note: 't95' 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_xbecke88_long_range.F:273:64: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:493:94: - 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't212' was declared here + 493 | *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_vwn.F:696:71: 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_xbecke88_long_range.F:659:67: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:288:26: - 659 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] + 288 | REAL(kind=dp) :: t98, t99, xx + | ^ +note: 't98' 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_xbecke88_long_range.F:273:70: - - 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 - | ^ -note: 't213' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:697:61: 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_xbecke88_long_range.F:659:67: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:785:32: - 659 | t68*t60*t677 - 0.2222222224e0_dp*t24*t98*t842 - | ^ -Warning: 't216' may be used uninitialized [-Wmaybe-uninitialized] + 785 | t98*t1400 + | ^ +Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:274:27: - - 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't216' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:698:60: 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_xbecke88_long_range.F:614:63: - - 614 | /t69*t669) - | ^ -Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:274:33: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:273:47: - 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't219' was declared here + 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't207' 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_xbecke88_long_range.F:726:76: + + 726 | 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:273:58: + + 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't211' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:699:29: 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_xbecke88_long_range.F:600:30: - - 600 | t628 = t221*t76 - | ^ -Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:274:44: - - 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't221' 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_xbecke88_long_range.F:726:76: + + 726 | 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:273:64: + + 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't212' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:699:70: 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_xbecke88_long_range.F:674:58: - - 674 | *t244*my_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:274:50: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:659:67: - 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't222' was declared here + 659 | 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_vwn.F:847:26: 847 | t144 | ^ Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:273:70: + + 273 | t185, t186, t190, t196, t2, t200, t207, t21, t211, t212, t213 + | ^ +note: 't213' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:700:54: 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_xbecke88_long_range.F:741:80: - - 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:274:56: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:659:67: - 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't225' was declared here + 659 | 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_vwn.F:838:30: 838 | t184 = t183*t55 @@ -12492,126 +10831,141 @@ 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_xbecke88_long_range.F:674:58: - - 674 | *t244*my_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:274:62: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:274:27: 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't226' was declared here + | ^ +note: 't216' 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_xbecke88_long_range.F:614:63: + + 614 | /t69*t669) + | ^ +Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:274:33: + + 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ +note: 't219' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:600:30: + + 600 | t628 = t221*t76 + | ^ +Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:701:47: 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_xbecke88_long_range.F:794:102: - - 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:274:73: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:274:44: 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't230' was declared here + | ^ +note: 't221' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:674:58: + + 674 | *t244*my_ndrho/t657/t7*t669) + | ^ +Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:702:18: 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_xbecke88_long_range.F:674:58: - - 674 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't232' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:274:85: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:274:50: 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't232' was declared here + | ^ +note: 't222' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:702:23: 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_xbecke88_long_range.F:674:58: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:741:80: - 674 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized] + 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:274:56: + + 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ +note: 't225' 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_xbecke88_long_range.F:274:91: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:674:58: - 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't233' was declared here + 674 | *t244*my_ndrho/t657/t7*t669) + | ^ +Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:702:28: 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_xbecke88_long_range.F:674:58: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:274:62: - 674 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] + 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ +note: 't226' 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_xbecke88_long_range.F:274:97: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:794:102: + + 794 | *t250*my_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:274:73: 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & - | ^ -note: 't237' was declared here + | ^ +note: 't230' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:703:18: 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_xbecke88_long_range.F:674:58: 674 | *t244*my_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:275:18: +Warning: 't232' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:847:26: - 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't241' was declared here + 847 | t144 + | ^ +Warning: 't80' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:704:44: 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_xbecke88_long_range.F:274:85: + + 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ +note: 't232' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:855:30: 855 | t213 = t212*t85 @@ -12621,12 +10975,7 @@ 674 | *t244*my_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:275:24: - - 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't244' was declared here +Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:36: 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & @@ -12637,96 +10986,96 @@ 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_xbecke88_long_range.F:741:80: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:274:91: - 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:275:30: + 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ +note: 't233' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:674:58: - 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't245' was declared here + 674 | *t244*my_ndrho/t657/t7*t669) + | ^ +Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:53: 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_xbecke88_long_range.F:274:97: + + 274 | REAL(kind=dp) :: t216, t219, t22, t221, t222, t225, t226, t23, t230, t231, t232, t233, t237, & + | ^ +note: 't237' 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_xbecke88_long_range.F:794:102: - - 794 | *t250*my_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:275:36: - - 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't250' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:683:85: 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_xbecke88_long_range.F:674:58: 674 | *t244*my_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:275:42: +Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:883:32: - 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't251' was declared here + 883 | *t102*t231 + | ^ +Warning: 't102' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:13: 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_xbecke88_long_range.F:275:18: + + 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ +note: 't241' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:674:58: 674 | *t244*my_ndrho/t657/t7*t669) | ^ -Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] +Warning: 't244' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:275:24: + + 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ +note: 't244' 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_xbecke88_long_range.F:275:48: - - 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't254' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:26: 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_xbecke88_long_range.F:674:58: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:741:80: - 674 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't255' may be used uninitialized [-Wmaybe-uninitialized] + 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:275:54: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:275:30: 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't255' was declared here + | ^ +note: 't245' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:794:102: + + 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) + | ^ +Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:32: 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & @@ -12737,41 +11086,46 @@ 955 | t377 = t376*t109 | ^ Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:726:76: - - 726 | 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:275:60: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:275:36: 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't258' was declared here + | ^ +note: 't250' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:674:58: + + 674 | *t244*my_ndrho/t657/t7*t669) + | ^ +Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:38: 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_xbecke88_long_range.F:659:67: - - 659 | 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:275:66: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:275:42: 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't259' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:688:57: + | ^ +note: 't251' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:674:58: - 688 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't264' may be used uninitialized [-Wmaybe-uninitialized] + 674 | *t244*my_ndrho/t657/t7*t669) + | ^ +Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:275:48: + + 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ +note: 't254' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:674:58: + + 674 | *t244*my_ndrho/t657/t7*t669) + | ^ +Warning: 't255' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:49: 684 | t102, t1031, t105, t108, t109, t11, t110, t113, t114, t115, t116, t117, t119, t120, t121, & @@ -12782,46 +11136,46 @@ 898 | t279 = t113**2 | ^ Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:275:77: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:275:54: 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't264' was declared here + | ^ +note: 't255' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:726:76: + + 726 | 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_vwn.F:684:55: 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_xbecke88_long_range.F:688:57: - - 688 | - 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:275:83: - - 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't265' 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_xbecke88_long_range.F:275:60: + + 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ +note: 't258' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:659:67: + + 659 | 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_vwn.F:684:67: 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_xbecke88_long_range.F:812:74: - - 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't270' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:275:94: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:275:66: 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & - | ^ -note: 't270' was declared here + | ^ +note: 't259' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:929:60: 929 | *t325*t287)*t38) @@ -12832,126 +11186,126 @@ 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_xbecke88_long_range.F:688:57: + + 688 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't264' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:776:37: - - 776 | *t36*t38*t1396 - | ^ -Warning: 't271' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:13: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:275:77: - 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't271' was declared here + 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ +note: 't264' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:79: 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_xbecke88_long_range.F:688:57: + + 688 | - 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:275:83: + + 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ +note: 't265' 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_xbecke88_long_range.F:688:57: - - 688 | - 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:276:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: - 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't281' was declared here + 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + | ^ +Warning: 't270' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:85: 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_xbecke88_long_range.F:653:54: - - 653 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't284' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:276:30: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:275:94: - 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't284' was declared here + 275 | t24, t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, & + | ^ +note: 't270' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:684:91: 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_xbecke88_long_range.F:688:57: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: - 688 | - 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:276:36: + 776 | *t36*t38*t1396 + | ^ +Warning: 't271' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:13: 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't285' was declared here + | ^ +note: 't271' 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_xbecke88_long_range.F:688:57: + + 688 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't281' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:13: 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_xbecke88_long_range.F:776:37: - - 776 | *t36*t38*t1396 - | ^ -Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:42: - - 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't289' 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_xbecke88_long_range.F:276:24: + + 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't281' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:19: 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_xbecke88_long_range.F:776:37: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:653:54: - 776 | *t36*t38*t1396 - | ^ -Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] + 653 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't284' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:276:53: - - 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't293' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:25: 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_xbecke88_long_range.F:276:30: + + 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't284' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: 993 | *t443*t408)*t80) - t332 @@ -12962,26 +11316,21 @@ 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_xbecke88_long_range.F:776:37: - - 776 | *t36*t38*t1396 - | ^ -Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:276:59: - - 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't297' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:37: 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_xbecke88_long_range.F:688:57: + + 688 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't285' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:916:31: 916 | t310 = t132*t309 @@ -12992,16 +11341,11 @@ 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_xbecke88_long_range.F:717:76: - - 717 | + t1136) - | ^ -Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:74: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:36: 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't304' was declared here + | ^ +note: 't285' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:914:31: 914 | t307 = t306*t133 @@ -13017,21 +11361,11 @@ 929 | *t325*t287)*t38) | ^ Warning: 't134' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: - - 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't312' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:55: 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_xbecke88_long_range.F:276:91: - - 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't312' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:920:31: 920 | t319 = t136*t245 @@ -13047,21 +11381,16 @@ 929 | *t325*t287)*t38) | ^ Warning: 't137' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: - - 776 | *t36*t38*t1396 - | ^ -Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:67: 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_xbecke88_long_range.F:276:97: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: - 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & - | ^ -note: 't313' was declared here + 776 | *t36*t38*t1396 + | ^ +Warning: 't289' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:995:35: 995 | t455 = 0.2e1_dp*t144 @@ -13072,16 +11401,11 @@ 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_xbecke88_long_range.F:653:54: - - 653 | + 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:277:13: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:42: - 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't316' was declared here + 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't289' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1001:30: 1001 | t461 = t145*t43 @@ -13092,21 +11416,11 @@ 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_xbecke88_long_range.F:653:54: - - 653 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't319' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:277:19: - - 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't319' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:685:96: 685 | t124, t125, t126, t127, t130, t132, t133, t134, t136, t137, t14, t144, t145, t146, t147, & @@ -13122,16 +11436,11 @@ 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_xbecke88_long_range.F:653:54: - - 653 | + 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:277:25: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: - 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't321' was declared here + 776 | *t36*t38*t1396 + | ^ +Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1002:31: 1002 | t464 = t342*t151 @@ -13142,16 +11451,11 @@ 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_xbecke88_long_range.F:695:38: - - 695 | *t128*t323*t172 - | ^ -Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:277:31: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:53: - 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't323' was declared here + 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't293' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:940:31: 940 | t351 = t154*t202 @@ -13162,16 +11466,6 @@ 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_xbecke88_long_range.F:653:54: - - 653 | + 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:277:37: - - 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't325' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1010:48: 1010 | + t213)*sc @@ -13182,21 +11476,16 @@ 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_xbecke88_long_range.F:709:36: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: - 709 | t41*t328*t466 - | ^ -Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] + 776 | *t36*t38*t1396 + | ^ +Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:277:43: - - 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't326' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:42: 686 | t15, t150, t151, t154, t155, t156, t159, t16, t160, t161, t162, t165, t168, t169, t172, & @@ -13207,41 +11496,26 @@ 946 | t363 = 0.1e1_dp/t159/t54 | ^ Warning: 't159' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:709:36: - - 709 | t41*t328*t466 - | ^ -Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:48: 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_xbecke88_long_range.F:277:49: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:59: - 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't328' was declared here + 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't297' 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_xbecke88_long_range.F:638:40: - - 638 | REAL(t46, KIND=dp) - | ^ -Warning: 't330' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:686:59: 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_xbecke88_long_range.F:277:55: - - 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't330' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:954:32: 954 | *t161*t373 @@ -13252,16 +11526,11 @@ 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_xbecke88_long_range.F:702:68: - - 702 | *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:277:61: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:717:76: - 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't335' was declared here + 717 | + t1136) + | ^ +Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:951:32: 951 | *t162*t231 @@ -13272,16 +11541,11 @@ 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_xbecke88_long_range.F:709:36: - - 709 | t41*t328*t466 - | ^ -Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:277:67: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:74: - 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't339' was declared here + 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't304' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: 993 | *t443*t408)*t80) - t332 @@ -13292,16 +11556,6 @@ 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_xbecke88_long_range.F:709:36: - - 709 | t41*t328*t466 - | ^ -Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:277:78: - - 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't343' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:956:31: 956 | t380 = t168*t258 @@ -13312,16 +11566,11 @@ 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_xbecke88_long_range.F:638:40: - - 638 | 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:277:84: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: - 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't346' was declared here + 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't312' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: 993 | *t443*t408)*t80) - t332 @@ -13332,16 +11581,11 @@ 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_xbecke88_long_range.F:709:36: - - 709 | t41*t328*t466 - | ^ -Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:277:90: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:91: - 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't347' was declared here + 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't312' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:965:29: 965 | t400 = t172**2 @@ -13352,66 +11596,46 @@ 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_xbecke88_long_range.F:709:36: - - 709 | t41*t328*t466 - | ^ -Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:277:96: - - 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & - | ^ -note: 't351' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:19: 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_xbecke88_long_range.F:776:37: + + 776 | *t36*t38*t1396 + | ^ +Warning: 't313' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:653:54: - - 653 | + 0.3333333334e0_dp*t36*t38*t838 - | ^ -Warning: 't354' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:25: 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_xbecke88_long_range.F:278:13: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:276:97: - 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't354' was declared here + 276 | t271, t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, & + | ^ +note: 't313' 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_xbecke88_long_range.F:595:30: - - 595 | t601 = t27*t358 - | ^ -Warning: 't358' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:31: 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_xbecke88_long_range.F:278:19: - - 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't358' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:969:29: 969 | t405 = t178**2 @@ -13422,16 +11646,6 @@ 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_xbecke88_long_range.F:785:32: - - 785 | t98*t1400 - | ^ -Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:30: - - 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't365' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:964:31: 964 | t397 = t231*t179 @@ -13442,21 +11656,21 @@ 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_xbecke88_long_range.F:785:32: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:653:54: - 785 | t98*t1400 - | ^ -Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] + 653 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:278:36: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:277:13: - 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't368' was declared here + 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't316' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:55: 687 | t173, t174, t175, t176, t178, t179, t180, t183, t184, t187, t189, t19, t190, t191, t193, & @@ -13467,21 +11681,16 @@ 977 | t420*t365 - t187*t373 | ^ Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:726:76: - - 726 | 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_vwn.F:687:61: 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_xbecke88_long_range.F:278:47: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:653:54: - 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't372' was declared here + 653 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't319' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:977:43: 977 | t420*t365 - t187*t373 @@ -13492,16 +11701,11 @@ 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_xbecke88_long_range.F:741:80: - - 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't377' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:53: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:277:19: - 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't377' was declared here + 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't319' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:980:31: 980 | t428 = t189*t427 @@ -13512,66 +11716,46 @@ 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_xbecke88_long_range.F:674:58: - - 674 | *t244*my_ndrho/t657/t7*t669) - | ^ -Warning: 't382' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:278:64: - - 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't382' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:84: 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_xbecke88_long_range.F:741:80: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:653:54: - 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] + 653 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't321' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:278:70: - - 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't383' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:90: 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_xbecke88_long_range.F:277:25: + + 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't321' 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_xbecke88_long_range.F:741:80: - - 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:687:96: 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_xbecke88_long_range.F:278:76: - - 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't384' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:993:67: 993 | *t443*t408)*t80) - t332 @@ -13582,106 +11766,116 @@ 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_xbecke88_long_range.F:794:102: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:695:38: - 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] + 695 | *t128*t323*t172 + | ^ +Warning: 't323' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:278:87: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:277:31: - 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't393' was declared here + 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't323' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:23: 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_xbecke88_long_range.F:653:54: + + 653 | + 0.3333333334e0_dp*t36*t38*t838 + | ^ +Warning: 't325' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:741:80: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:277:37: - 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't397' may be used uninitialized [-Wmaybe-uninitialized] + 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't325' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:29: 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_xbecke88_long_range.F:278:93: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:709:36: - 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & - | ^ -note: 't397' was declared here + 709 | t41*t328*t466 + | ^ +Warning: 't326' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:277:43: + + 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't326' 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_xbecke88_long_range.F:741:80: - - 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:35: 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_xbecke88_long_range.F:279:18: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:709:36: - 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't400' was declared here + 709 | t41*t328*t466 + | ^ +Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:277:49: + + 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't328' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:41: 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_xbecke88_long_range.F:741:80: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:638:40: - 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:24: + 638 | 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:277:55: - 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't401' was declared here + 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't330' 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_xbecke88_long_range.F:702:68: + + 702 | *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_vwn.F:688:52: 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_xbecke88_long_range.F:785:32: - - 785 | t98*t1400 - | ^ -Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:30: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:277:61: - 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't404' was declared here + 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't335' 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 @@ -13692,41 +11886,46 @@ 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_xbecke88_long_range.F:726:76: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:709:36: - 726 | t601*t172 - 0.2222222224e0_dp*t24*t98*(t1009 + t1141) - | ^ -Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] + 709 | t41*t328*t466 + | ^ +Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:279:36: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:277:67: - 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't339' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:709:36: + + 709 | t41*t328*t466 | ^ -note: 't405' was declared here +Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:82: 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_xbecke88_long_range.F:726:76: - - 726 | 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_vwn.F:886:31: 886 | *t97*t251 | ^ Warning: 't89' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:42: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:277:78: - 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't408' was declared here + 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't343' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:638:40: + + 638 | REAL(t46, KIND=dp) + | ^ +Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:87: 705 | t835, t836, t838, t841, t85, t851, t853, t86, t860, t863, t872, t879, t88, t89, t90, t91, & @@ -13737,213 +11936,201 @@ 871 | t230 = 0.1e1_dp/t90/t2 | ^ Warning: 't90' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: - - 776 | *t36*t38*t1396 - | ^ -Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:59: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:277:84: - 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't413' was declared here + 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't346' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:92: 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_xbecke88_long_range.F:688:57: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:709:36: - 688 | - 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:279:65: + 709 | t41*t328*t466 + | ^ +Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:277:90: - 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't417' was declared here + 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't347' 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_xbecke88_long_range.F:709:36: + + 709 | t41*t328*t466 + | ^ +Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:705:97: 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_xbecke88_long_range.F:776:37: - - 776 | *t36*t38*t1396 - | ^ -Warning: 't418' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:71: - - 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't418' 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_xbecke88_long_range.F:277:96: + + 277 | t316, t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, & + | ^ +note: 't351' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:706:12: 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_xbecke88_long_range.F:688:57: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:653:54: - 688 | - 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:279:82: + 653 | + 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:278:13: - 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't428' was declared here + 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't354' 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_xbecke88_long_range.F:595:30: + + 595 | t601 = t27*t358 + | ^ +Warning: 't358' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:706:23: 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_xbecke88_long_range.F:776:37: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:19: - 776 | *t36*t38*t1396 - | ^ -Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] + 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't358' 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_xbecke88_long_range.F:279:88: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:785:32: - 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & - | ^ -note: 't429' was declared here + 785 | t98*t1400 + | ^ +Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:706:46: 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_xbecke88_long_range.F:776:37: - - 776 | *t36*t38*t1396 - | ^ -Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:280:13: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:30: - 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't435' was declared here + 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't365' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:706:57: 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_xbecke88_long_range.F:785:32: + + 785 | t98*t1400 + | ^ +Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:36: + + 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't368' 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_xbecke88_long_range.F:812:74: - - 812 | *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:280:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:726:76: - 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't451' was declared here + 726 | 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_vwn.F:706:62: 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 -true +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:47: + + 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't372' 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_xbecke88_long_range.F:746:57: - - 746 | + 0.5999999999e1_dp*t128*t132*t529 - | ^ -Warning: 't452' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:64: 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_xbecke88_long_range.F:280:30: - - 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't452' 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_xbecke88_long_range.F:688:57: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:741:80: - 688 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] + 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't377' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:70: 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_xbecke88_long_range.F:280:36: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:53: - 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't455' was declared here + 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't377' 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_xbecke88_long_range.F:688:57: - - 688 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:88: 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_xbecke88_long_range.F:280:42: - - 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't457' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:688:57: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:674:58: - 688 | - 0.1111111111e0_dp*t117*t293*t404 - | ^ -Warning: 't460' may be used uninitialized [-Wmaybe-uninitialized] + 674 | *t244*my_ndrho/t657/t7*t669) + | ^ +Warning: 't382' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:278:64: + + 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't382' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:688:94: 688 | t194, t2, t202, t203, t206, t209, t21, t212, t213, t216, t217, t218, t219, t220, t221, & @@ -13954,36 +12141,41 @@ 1117 | t807 = t222*t165 | ^ Warning: 't222' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:280:53: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:741:80: - 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't460' was declared here + 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:13: 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_xbecke88_long_range.F:278:70: + + 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't383' 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_xbecke88_long_range.F:709:36: - - 709 | t41*t328*t466 - | ^ -Warning: 't462' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:25: 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_xbecke88_long_range.F:280:59: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:741:80: - 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't462' was declared here + 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:76: + + 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't384' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: 1099 | *bp*t625*t565*t559 @@ -13994,36 +12186,36 @@ 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_xbecke88_long_range.F:709:36: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:794:102: - 709 | t41*t328*t466 - | ^ -Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:280:65: + 794 | *t250*my_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:278:87: - 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't463' was declared here + 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't393' 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_xbecke88_long_range.F:741:80: + + 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't397' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:37: 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_xbecke88_long_range.F:760:63: - - 760 | 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:280:71: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:278:93: - 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 - | ^ -note: 't464' was declared here + 278 | t354, t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, & + | ^ +note: 't397' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1121:31: 1121 | t820 = t231*t165 @@ -14034,16 +12226,11 @@ 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_xbecke88_long_range.F:760:63: - - 760 | 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:281:27: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:741:80: - 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't465' was declared here + 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't400' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: 1099 | *bp*t625*t565*t559 @@ -14054,146 +12241,131 @@ 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_xbecke88_long_range.F:812:74: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:18: - 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't466' may be used uninitialized [-Wmaybe-uninitialized] + 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't400' 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_xbecke88_long_range.F:281:33: - - 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't466' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:55: 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_xbecke88_long_range.F:760:63: - - 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't467' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:741:80: + + 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:24: + + 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't401' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:689:61: 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_xbecke88_long_range.F:281:39: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:785:32: - 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't467' was declared here + 785 | t98*t1400 + | ^ +Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized] /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_xbecke88_long_range.F:702:68: - - 702 | *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:689:72: 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_xbecke88_long_range.F:281:50: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:30: - 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't470' was declared here + 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't404' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1149:51: 1149 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:726:76: - 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] + 726 | 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_vwn.F:690:27: 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: 't241' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:281:56: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:36: - 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't473' was declared here + 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't405' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1135:39: 1135 | *t841 - t187*t851 | ^ Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:702:68: - - 702 | *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:690:45: 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: 't245' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:281:62: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:726:76: - 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't478' was declared here + 726 | 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_vwn.F:1047:62: 1047 | *t246*t509 - 0.9531842928e0_dp*t102*t522 | ^ Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: - - 760 | 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:690:51: 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: 't246' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:281:68: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:42: - 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't479' was declared here + 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't408' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: 1099 | *bp*t625*t565*t559 | ^ Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: + + 776 | *t36*t38*t1396 + | ^ +Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:690:62: 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: 't251' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: - - 760 | 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:281:79: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:59: - 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't482' was declared here + 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't413' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: 1099 | *bp*t625*t565*t559 @@ -14204,126 +12376,116 @@ 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: 't254' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:688:57: - 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] + 688 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: 1099 | *bp*t625*t565*t559 | ^ Warning: 't255' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:281:85: - - 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't486' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:690:74: 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: 't255' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:65: + + 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't417' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: + + 776 | *t36*t38*t1396 + | ^ +Warning: 't418' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1165:37: 1165 | *t389*t573*t748 | ^ Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: - - 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345 - | ^ -Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:690:80: 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: 't258' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:281:91: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:71: - 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & - | ^ -note: 't489' was declared here + 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't418' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: 1099 | *bp*t625*t565*t559 | ^ Warning: 't259' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:717:76: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:688:57: - 717 | + t1136) - | ^ -Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized] + 688 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:690:86: 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: 't259' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:13: - - 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't492' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:663:30: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:82: - 663 | t857 = t27*t496 - | ^ -Warning: 't496' may be used uninitialized [-Wmaybe-uninitialized] + 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't428' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: 1099 | *bp*t625*t565*t559 | ^ Warning: 't260' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:19: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: - 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't496' was declared here + 776 | *t36*t38*t1396 + | ^ +Warning: 't429' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:690:97: 690 | REAL(KIND=dp) :: t241, t242, t244, t245, t246, t25, t251, t254, t255, t258, t259, t26, t260, & | ^ note: 't260' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:279:88: + + 279 | t40, t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, & + | ^ +note: 't429' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: 1099 | *bp*t625*t565*t559 | ^ Warning: 't261' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:818:44: - - 818 | *sx - | ^ -Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:691:13: 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: 't261' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:29: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: - 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't501' was declared here + 776 | *t36*t38*t1396 + | ^ +Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: 1099 | *bp*t625*t565*t559 | ^ Warning: 't268' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:785:32: - - 785 | t98*t1400 - | ^ -Warning: 't502' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:691:25: 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: 't268' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:35: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:280:13: - 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't502' was declared here + 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't435' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: 1099 | *bp*t625*t565*t559 @@ -14334,51 +12496,51 @@ 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: 't269' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:785:32: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: - 785 | t98*t1400 - | ^ -Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:41: + 812 | *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:280:24: - 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't505' was declared here + 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't451' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: 1099 | *bp*t625*t565*t559 | ^ Warning: 't273' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:746:57: + + 746 | + 0.5999999999e1_dp*t128*t132*t529 + | ^ +Warning: 't452' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:691:48: 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: 't273' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:794:102: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:280:30: - 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't508' may be used uninitialized [-Wmaybe-uninitialized] + 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't452' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1056:29: 1056 | t595 = t279**2 | ^ Warning: 't279' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:47: - - 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't508' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:691:60: 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: 't279' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:741:80: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:688:57: - 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) - | ^ -Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] + 688 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: 1099 | *bp*t625*t565*t559 @@ -14389,51 +12551,51 @@ 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: 't282' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:58: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:280:36: - 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't513' was declared here + 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't455' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:688:57: + + 688 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1099:40: 1099 | *bp*t625*t565*t559 | ^ Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:794:102: - - 794 | *t250*my_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:691:78: 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: 't283' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:64: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:280:42: - 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't514' was declared here + 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't457' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1059:41: 1059 | t603 = t500/t284/t119*t601 | ^ Warning: 't284' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:599:38: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:688:57: - 599 | t624 = 0.1e1_dp/t8/t519 - | ^ -Warning: 't519' may be used uninitialized [-Wmaybe-uninitialized] + 688 | - 0.1111111111e0_dp*t117*t293*t404 + | ^ +Warning: 't460' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:691:84: 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: 't284' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:70: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:280:53: - 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't519' was declared here + 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't460' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1055:31: 1055 | t589 = t509*t286 @@ -14444,16 +12606,11 @@ 691 | t261, t267, t268, t269, t27, t270, t273, t276, t279, t281, t282, t283, t284, t286, t287, & | ^ note: 't286' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:794:102: - - 794 | *t250*my_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:282:81: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:709:36: - 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't521' was declared here + 709 | t41*t328*t466 + | ^ +Warning: 't462' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1072:39: 1072 | *t531 - t130*t549 @@ -14464,91 +12621,81 @@ 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: 't291' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:794:102: - - 794 | *t250*my_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:282:87: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:280:59: - 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't525' was declared here + 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't462' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1072:39: 1072 | *t531 - t130*t549 | ^ Warning: 't292' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:709:36: + + 709 | t41*t328*t466 + | ^ +Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:692:24: 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: 't292' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:794:102: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:280:65: - 794 | *t250*my_ndrho + 0.180e2_dp*t393/t657*t669) - | ^ -Warning: 't526' may be used uninitialized [-Wmaybe-uninitialized] + 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't463' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1064:31: 1064 | t693 = t295*t508 | ^ Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:93: - - 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & - | ^ -note: 't526' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:692:30: 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: 't295' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: + + 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1149:51: 1149 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: 't296' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:818:44: - - 818 | *sx - | ^ -Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:13: - - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't529' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:692:36: 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: 't296' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:785:32: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:280:71: - 785 | t98*t1400 - | ^ -Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] + 280 | t435, t44, t451, t452, t455, t457, t46, t460, t462, t463, t464 + | ^ +note: 't464' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1149:51: 1149 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: 't299' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:19: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't530' was declared here + 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't465' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:692:42: 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: 't299' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:281:27: - 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't536' may be used uninitialized [-Wmaybe-uninitialized] + 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't465' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1072:39: 1072 | *t531 - t130*t549 @@ -14559,181 +12706,211 @@ 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: 't302' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:37: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't536' was declared here + 812 | *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_vwn.F:1083:51: 1083 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:281:33: + + 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't466' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:692:58: 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: 't306' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: - 812 | *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:283:43: + 760 | 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:281:39: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't537' was declared here + 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't467' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:702:68: + + 702 | *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:281:50: + + 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't470' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1083:51: 1083 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: + + 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:281:56: + + 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't473' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:692:64: 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: 't307' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:702:68: - 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't539' may be used uninitialized [-Wmaybe-uninitialized] + 702 | *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:1083:51: 1083 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:49: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:281:62: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't539' was declared here + 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't478' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:692:70: 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: 't309' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: - - 776 | *t36*t38*t1396 - | ^ -Warning: 't562' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:60: - - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't562' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1083:51: 1083 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: 't310' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: + + 760 | 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:281:68: + + 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't479' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:692:76: 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: 't310' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: - - 776 | *t36*t38*t1396 - | ^ -Warning: 't566' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:66: - - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't566' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1083:51: 1083 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: 't311' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: + + 760 | 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:281:79: + + 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't482' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:692:82: 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: 't311' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: - - 812 | *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:283:72: - - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't570' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1083:51: 1083 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: 't315' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: + + 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:281:85: + + 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't486' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:692:88: 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: 't315' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: - - 812 | *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:1083:51: 1083 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:78: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't571' was declared here + 760 | t462*t466 - 0.5000000001e0_dp*t489*t1345 + | ^ +Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:692:94: 692 | t29, t291, t292, t295, t296, t299, t3, t302, t306, t307, t309, t310, t311, t315, t316, & | ^ note: 't316' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:281:91: - 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't572' may be used uninitialized [-Wmaybe-uninitialized] + 281 | REAL(kind=dp) :: t465, t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, & + | ^ +note: 't489' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1083:51: 1083 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: 't319' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:717:76: + + 717 | + t1136) + | ^ +Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:13: + + 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't492' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:693:13: 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: 't319' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:84: - - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't572' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1083:51: 1083 | t133*t10 + 0.2e1_dp*t307*t105 | ^ Warning: 't324' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:663:30: + + 663 | t857 = t27*t496 + | ^ +Warning: 't496' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:19: + + 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't496' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:693:24: 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: 't324' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: - - 760 | 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:283:90: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:818:44: - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't573' was declared here + 818 | *sx + | ^ +Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1083:51: 1083 | t133*t10 + 0.2e1_dp*t307*t105 @@ -14744,116 +12921,111 @@ 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: 't325' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:29: - 776 | *t36*t38*t1396 - | ^ -Warning: 't574' may be used uninitialized [-Wmaybe-uninitialized] + 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't501' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:785:32: + + 785 | t98*t1400 + | ^ +Warning: 't502' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1167:35: 1167 | t953 = 0.3e1_dp*t332 | ^ Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:96: - - 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & - | ^ -note: 't574' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:693:36: 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: 't332' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:35: - 812 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) - | ^ -Warning: 't575' may be used uninitialized [-Wmaybe-uninitialized] + 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't502' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1205:101: 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc | ^ Warning: 't333' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:785:32: + + 785 | t98*t1400 + | ^ +Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:41: + + 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't505' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:693:42: 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: 't333' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:284:13: - - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & - | ^ -note: 't575' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: - - 776 | *t36*t38*t1396 - | ^ -Warning: 't576' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1174:89: 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc | ^ Warning: 't334' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:794:102: + + 794 | *t250*my_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:282:47: + + 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't508' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:693:48: 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: 't334' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:284:19: - - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & - | ^ -note: 't576' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: - - 760 | 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:1186:106: 1186 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc | ^ Warning: 't337' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:284:25: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:741:80: - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & - | ^ -note: 't580' was declared here + 741 | *t397 - 0.2400000000e2_dp*t245/t657/my_rho*t669) + | ^ +Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:58: + + 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't513' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:693:54: 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: 't337' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: - - 776 | *t36*t38*t1396 - | ^ -Warning: 't586' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:284:31: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:794:102: - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & - | ^ -note: 't586' was declared here + 794 | *t250*my_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:1186:106: 1186 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc | ^ Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:730:31: - - 730 | t1153 = t27*t590 - | ^ -Warning: 't590' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:693:60: 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: 't339' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:284:42: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:64: - 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & - | ^ -note: 't590' was declared here + 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't514' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1205:101: 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc @@ -14864,6 +13036,11 @@ 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: 't342' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:599:38: + + 599 | 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:1174:89: 1174 | + t953 + 0.3e1_dp*t350 + 0.6e1_dp*t351 + t956)*sc @@ -14874,6 +13051,11 @@ 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: 't343' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:70: + + 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't519' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1186:106: 1186 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc @@ -14884,6 +13066,11 @@ 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: 't346' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:794:102: + + 794 | *t250*my_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:1105:31: 1105 | t743 = t349*t202 @@ -14894,6 +13081,11 @@ 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: 't349' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:81: + + 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't521' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1186:106: 1186 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc @@ -14909,11 +13101,21 @@ 1186 | + t950)*t2 + t953 + t350 + 0.4e1_dp*t351 + t956 + t990 + t490)*sc | ^ Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:794:102: + + 794 | *t250*my_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:693:96: 693 | t319, t32, t324, t325, t332, t333, t334, t337, t339, t342, t343, t346, t349, t350, t351, & | ^ note: 't351' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:87: + + 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't525' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1197:50: 1197 | + t489)*sc @@ -14934,6 +13136,11 @@ 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: 't353' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:794:102: + + 794 | *t250*my_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:1165:37: 1165 | *t389*t573*t748 @@ -14944,6 +13151,11 @@ 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: 't356' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:282:93: + + 282 | t492, t496, t5, t501, t502, t505, t508, t51, t513, t514, t519, t52, t521, t525, t526, & + | ^ +note: 't526' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1165:37: 1165 | *t389*t573*t748 @@ -14964,6 +13176,11 @@ 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: 't363' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:818:44: + + 818 | *sx + | ^ +Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1165:37: 1165 | *t389*t573*t748 @@ -14974,6 +13191,11 @@ 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: 't364' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:13: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't529' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1125:31: 1125 | t838 = t365*t165 @@ -14989,11 +13211,21 @@ 1128 | *t368*t509 - 0.9531842928e0_dp*t162*t522 | ^ Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:785:32: + + 785 | t98*t1400 + | ^ +Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:694:66: 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: 't368' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:19: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't530' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1165:37: 1165 | *t389*t573*t748 @@ -15014,6 +13246,11 @@ 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: 't376' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: + + 812 | *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:1165:37: 1165 | *t389*t573*t748 @@ -15024,6 +13261,11 @@ 694 | t352, t353, t354, t356, t357, t36, t363, t364, t365, t368, t373, t376, t377, t38, t380, & | ^ note: 't377' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:37: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't536' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1165:37: 1165 | *t389*t573*t748 @@ -15044,6 +13286,11 @@ 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: 't381' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: + + 812 | *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:1165:37: 1165 | *t389*t573*t748 @@ -15054,6 +13301,11 @@ 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: 't382' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:43: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't537' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1165:37: 1165 | *t389*t573*t748 @@ -15074,6 +13326,11 @@ 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: 't390' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: + + 812 | *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:1165:37: 1165 | *t389*t573*t748 @@ -15084,6 +13341,11 @@ 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: 't394' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:49: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't539' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1137:35: 1137 | t863 = 0.1e1_dp/t400 @@ -15094,6 +13356,11 @@ 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: 't400' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: + + 776 | *t36*t38*t1396 + | ^ +Warning: 't562' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1165:37: 1165 | *t389*t573*t748 @@ -15104,6 +13371,11 @@ 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: 't403' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:60: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't562' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1165:37: 1165 | *t389*t573*t748 @@ -15114,6 +13386,11 @@ 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: 't404' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: + + 776 | *t36*t38*t1396 + | ^ +Warning: 't566' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1115:41: 1115 | t800 = t500/t405/t178*t798 @@ -15124,6 +13401,11 @@ 695 | t381, t382, t388, t389, t390, t391, t394, t397, t4, t400, t402, t403, t404, t405, t407, & | ^ note: 't405' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:66: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't566' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1110:31: 1110 | t758 = t509*t407 @@ -15144,6 +13426,11 @@ 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ note: 't412' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: + + 812 | *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:1135:39: 1135 | *t841 - t187*t851 @@ -15154,6 +13441,11 @@ 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ note: 't413' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:72: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't570' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1135:39: 1135 | *t841 - t187*t851 @@ -15174,6 +13466,11 @@ 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ note: 't424' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: + + 812 | *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:1149:51: 1149 | - 0.1588640487e1_dp*t437*t860 @@ -15184,6 +13481,11 @@ 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ note: 't425' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:78: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't571' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1149:51: 1149 | - 0.1588640487e1_dp*t437*t860 @@ -15199,11 +13501,21 @@ 1149 | - 0.1588640487e1_dp*t437*t860 | ^ Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: + + 812 | *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:696:60: 696 | t408, t412, t413, t42, t420, t424, t425, t427, t428, t429, t43 | ^ note: 't428' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:84: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't572' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1149:51: 1149 | - 0.1588640487e1_dp*t437*t860 @@ -15224,6 +13536,16 @@ 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ note: 't433' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: + + 760 | 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:283:90: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't573' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1149:51: 1149 | - 0.1588640487e1_dp*t437*t860 @@ -15244,6 +13566,11 @@ 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ note: 't437' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: + + 776 | *t36*t38*t1396 + | ^ +Warning: 't574' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1149:51: 1149 | - 0.1588640487e1_dp*t437*t860 @@ -15254,6 +13581,11 @@ 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ note: 't442' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:283:96: + + 283 | t529, t530, t533, t534, t536, t537, t539, t55, t562, t566, t570, t571, t572, t573, t574, & + | ^ +note: 't574' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1149:51: 1149 | - 0.1588640487e1_dp*t437*t860 @@ -15269,11 +13601,21 @@ 1178 | t986 = t212*t451 | ^ Warning: 't451' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:812:74: + + 812 | *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_vwn.F:697:67: 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ note: 't451' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:284:13: + + 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't575' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1168:35: 1168 | t956 = 0.3e1_dp*t452 @@ -15284,6 +13626,11 @@ 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ note: 't452' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: + + 776 | *t36*t38*t1396 + | ^ +Warning: 't576' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1197:50: 1197 | + t489)*sc @@ -15294,6 +13641,11 @@ 697 | REAL(KIND=dp) :: t433, t434, t437, t44, t442, t443, t45, t451, t452, t455, t457, t458, t46, & | ^ note: 't458' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:284:19: + + 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't576' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1197:50: 1197 | + t489)*sc @@ -15304,6 +13656,11 @@ 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: 't461' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:760:63: + + 760 | 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:1197:50: 1197 | + t489)*sc @@ -15314,6 +13671,11 @@ 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: 't464' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:284:25: + + 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't580' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1197:50: 1197 | + t489)*sc @@ -15329,11 +13691,21 @@ 1177 | t984 = 0.2e1_dp*t470*t202 | ^ Warning: 't470' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:776:37: + + 776 | *t36*t38*t1396 + | ^ +Warning: 't586' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:698:31: 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: 't470' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:284:31: + + 284 | t575, t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, & + | ^ +note: 't586' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1179:35: 1179 | t990 = 0.2e1_dp*t471 @@ -15344,6 +13716,11 @@ 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: 't471' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:730:31: + + 730 | t1153 = t27*t590 + | ^ +Warning: 't590' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1205:101: 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc @@ -15354,6 +13731,11 @@ 698 | t461, t464, t467, t470, t471, t472, t475, t479, t48, t482, t485, t488, t489, t49, t490, & | ^ note: 't472' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:284:42: + + 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/src/xc/xc_vwn.F:1205:101: 1205 | + t950)*t2 + t953 + 0.3e1_dp*t489 + 0.6e1_dp*t472 + t956)*sc @@ -15424,250 +13806,2972 @@ 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 'qs_p_env_types.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 +/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 'xc_cs1.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1155:24: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1684:31: - 1155 | t206 = t1*ndrho + 1684 | t101 = beta*t100 + | ^ +Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1504:24: + + 1504 | Arhobrhob, beta, beta_1_1, beta_1_2, beta_1_3, beta_2_1, beta_2_2, beta_2_3, beta_3_1, & | ^ -Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:83: +note: 'beta' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1727:51: - 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: + 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:1515:42: - 1224 | t328 = t3*t10 - | ^ -Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:88: + 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: - 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: + 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:1516:25: - 1198 | t288 = t100*t139 + 1516 | kf_brhobrhob, mu | ^ -Warning: 't100' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:94: - - 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:991:13: - - 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: +note: 'mu' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - 1196 | t280 = t197*t103 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:991:26: + 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:842:86: - 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_xwpbe.F:1253:46: + 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: - 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:991:32: + 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:842:92: - 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: + 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: - 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:991:73: + 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:842:97: - 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: + 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: - 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_xwpbe.F:992:13: + 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:843:13: - 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, & + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & | ^ -note: 't109' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1112:24: - - 1112 | t131 = t11*t130 - | ^ -Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:32: - - 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: +note: 't110' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - 1182 | *t248) - t113*t251 - | ^ + 1052 | Clda)*sx + | ^ Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:57: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:19: - 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, & - | ^ + 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_xwpbe.F:1175:25: - - 1175 | t241 = t114*t240 - | ^ -Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:63: - - 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: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - 1213 | t315 = t314*t115 - | ^ + 1052 | Clda)*sx + | ^ Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:69: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:25: - 992 | t109, t1094, t1098, t11, t1101, t111, t112, t113, t114, t115, t1154, t116, t118, t1191, & - | ^ + 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_xwpbe.F:1263:67: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - 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:992:82: + 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:843:37: - 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: + 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: - 1110 | t129 = t12*rho - | ^ + 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:843:43: + + 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_xwpbe.F:993:12: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:48: - 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & - | ^ + 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_xwpbe.F:1234:70: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - 1234 | e_rho = e_rho + (-0.4e1_dp/0.3e1_dp*t235*t122 - t76*t340)*sx0 - | ^ + 1052 | Clda)*sx + | ^ Warning: 't122' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:25: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:54: - 993 | t12, t1205, t122, t124, t125, t126, t129, t13, t130, t131, t132, t135, t136, t139, t14, & - | ^ + 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_xwpbe.F:1145:23: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1052:34: - 1145 | t190 = t42*t13 - | ^ -Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:54: + 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:843:66: - 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: + 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: - 1142 | t186 = t14*t185 - | ^ -Warning: 't14' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:95: + 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:843:72: - 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: + 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: - 1194 | t276 = t15*t103 + 981 | t229 = t13*t225 | ^ -Warning: 't15' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:994:42: - - 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_xwpbe.F:994:95: +Warning: 't13' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:843:83: - 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_xwpbe.F:1163:22: + 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: - 1163 | t219 = a4*t18 - | ^ -Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:54: + 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:843:89: - 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: + 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: - 1117 | t140 = t19*t139 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:95: + 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:843:95: - 995 | t165, t166, t167, t168, t169, t173, t175, t18, t181, t184, t185, t186, t188, t189, t19, & + 843 | t110, t113, t115, t117, t118, t119, t12, t122, t125, t126, t127, t128, t13, t130, t133, & | ^ -note: 't19' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1108:23: +note: 't133' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xpbe_hole_t_c_lr.F:1084:50: - 1108 | t125 = t2*t124 - | ^ -Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:47: + 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:844:13: - 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: + 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: - 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:997:73: + 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:844:19: - 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: + 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: - 1120 | t146 = t24*t44*t28 - | ^ -Warning: 't24' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:998:42: + 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:844:24: - 998 | t229, t231, t232, t235, t238, t24, t240, t241, t244, t247, t248, t25, t250, t251, t253, & - | ^ -note: 't24' was declared here + 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:844:30: + + 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:844:36: + + 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:844:42: + + 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:844:48: + + 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:844:54: + + 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:844:60: + + 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:844:66: + + 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:844:72: + + 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:844:78: + + 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:844:89: + + 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:845:72: + + 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:846:46: + + 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:846:75: + + 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:847:42: + + 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:847:59: + + 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:848:51: + + 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:849:32: + + 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:849:61: + + 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:849:78: + + 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:850:12: + + 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:850:17: + + 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:850:28: + + 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:850:55: + + 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:851:12: + + 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_xpbe_hole_t_c_lr.F:851:17: + + 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_xpbe_hole_t_c_lr.F:851:66: + + 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: + + 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:851:71: + + 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: + + 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:851:82: + + 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: + + 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:852:40: + + 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: + + 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:852:51: + + 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:852:67: + + 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:852:82: + + 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:852:87: + + 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:852:91: + + 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:852:96: + + 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:853:12: + + 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:853:17: + + 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:853:22: + + 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:853:31: + + 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:853:36: + + 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:853:41: + + 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:853:46: + + 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:853:51: + + 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:853:56: + + 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:853:61: + + 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:853:66: + + 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:853:81: + + 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:852:18: + + 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/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:228:68: + + 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:228:76: + + 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:228:80: + + 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/Makefile:560: update target 'xc_exchange_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="\"Sun Apr 13 06:29:09 +14 2025\"" -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 +/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/Makefile:560: update target 'xc_lyp.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:425:68: + + 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:425:76: + + 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:425:80: + + 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 'xc_lyp_adiabatic.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_pade.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/src/xc/xc_xbecke_roussel.F:1669:86: + + 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:1503:30: + + 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: + + 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:1503:36: + + 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: + + 1762 | t525 = t143*t101 + | ^ +Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:42: + + 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: + + 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:1503:48: + + 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: + + 1781 | t581 = t580*t103 + | ^ +Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:54: + + 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: + + 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:1503:66: + + 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: + + 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:1503:72: + + 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: + + 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:1503:78: + + 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: + + 1788 | t614 = t613*t110 + | ^ +Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:84: + + 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: + + 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:1503:90: + + 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: + + 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:1503:96: + + 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: + + 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:1504:19: + + 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: + + 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:1504:25: + + 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: + + 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:1504:31: + + 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: + + 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:1504:37: + + 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: + + 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:1504:43: + + 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: + + 1611 | t128 = t5*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1505:71: + + 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: + + 1616 | t138 = t21**2 + | ^ +Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1506:93: + + 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: + + 1673 | t272 = R*t23 + | ^ +Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1507:29: + + 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: + + 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:1508:64: + + 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: + + 1655 | t186*t191 + | ^ +Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1508:97: + + 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: + + 1734 | t450 = t31*t42 + | ^ +Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:18: + + 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: + + 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:1509:53: + + 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: + + 1613 | t133 = t33*gamma + | ^ +Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:70: + + 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: + + 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:1511:24: + + 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: + + 1623 | t157 = t4*rho + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:46: + + 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: + + 1736 | t454 = t40*t51 + | ^ +Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:51: + + 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: + + 1624 | t159 = t42*gamma + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:74: + + 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: + + 1636 | t186 = t4*t48 + | ^ +Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:35: + + 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: + + 1738 | t458 = t49*t61 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:58: + + 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: + + 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:1513:62: + + 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: + + 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:1513:67: + + 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: + + 1627 | t167 = t51*gamma + | ^ +Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:90: + + 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: + + 1740 | t462 = t59*t189 + | ^ +Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:29: + + 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: + + 1786 | t612 = t3*t6 + | ^ +Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:45: + + 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:1515:50: + + 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: 't65' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1516:24: + + 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: + + 1675 | t280 = t108*t66 + | ^ +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1516:53: + + 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: + + 1797 | t638 = t578*t83 + | ^ +Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:36: + + 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: + + 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:1517:41: + + 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:1517:51: + + 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:1517:56: + + 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:1517:61: + + 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:1517:66: + + 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:1517:70: + + 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:1517:75: + + 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:1517:80: + + 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:1517:85: + + 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:1517:90: + + 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:1517:95: + + 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:1518:17: + + 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:1518:22: + + 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:1165:30: + + 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:1165:36: + + 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:1165:42: + + 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:1165:48: + + 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:1165:54: + + 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:1165:66: + + 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:1165:72: + + 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:1165:78: + + 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:1165:84: + + 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:1165:90: + + 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/Makefile:560: update target 'xc_perdew_wang.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1165:96: + + 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:1166:13: + + 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:1166:19: + + 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:1166:25: + + 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:1166:31: + + 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:1167:65: + + 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:1168:63: + + 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:1169:30: + + 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:1170:76: + + 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: + + 1312 | t182*t187 + | ^ +Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1170:91: + + 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:1171:18: + + 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:1171:53: + + 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:1171:70: + + 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:1173:34: + + 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:1173:68: + + 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:1173:73: + + 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:1174:18: + + 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:1175:53: + + 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:1175:64: + + 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:1176:17: + + 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:1176:22: + + 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:1176:27: + + 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:1177:63: + + 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:1177:73: + + 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:1178:18: + + 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:1178:70: + + 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:1179:26: + + 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:1179:67: + + 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:1179:72: + + 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:1179:82: + + 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:1179:87: + + 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:1179:92: + + 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:1179:97: + + 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:1180:11: + + 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:1180:16: + + 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:1180:21: + + 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:1180:26: + + 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:1180:31: + + 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:1180:36: + + 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:1180:46: + + 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:1180:51: + + 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_thomas_fermi.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:477:47: + + 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:489:67: + + 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:476:66: + + 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:488:18: + + 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:484:44: + + 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:477:13: + + 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:483:81: + + 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:477:25: + + 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:477:59: + + 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:477:42: + + 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:478:31: + + 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:478:37: + + 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:476:54: + + 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:479:36: + + 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:475:86: + + 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:476:13: + + 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:476:19: + + 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:476:25: + + 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:476:31: + + 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:476:37: + + 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:476:42: + + 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:476:48: + + 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:476:60: + + 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:476:72: + + 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:476:83: + + 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:476:89: + + 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:476:95: + + 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:477:30: + + 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:477:36: + + 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:477:53: + + 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:477:65: + + 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:477:71: + + 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:477:77: + + 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:477:83: + + 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:477:89: + + 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:477:95: + + 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:478:13: + + 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:478:19: + + 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:478:43: + + 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:478:48: + + 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:478:54: + + 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:478:60: + + 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:478:66: + + 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:478:72: + + 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:478:78: + + 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:478:84: + + 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:478:90: + + 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:478:96: + + 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:479:13: + + 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:479:18: + + 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:479:24: + + 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:479:30: + + 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:479:42: + + 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:479:48: + + 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:479:58: + + 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:479:69: + + 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:480:12: + + 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:481:12: + + 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:481:65: + + 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:482:65: + + 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:483:12: + + 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:483:35: + + 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:483:58: + + 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:484:12: + + 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:484:29: + + 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:485:54: + + 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:485:71: + + 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:486:45: + + 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:486:62: + + 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:486:73: + + 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:487:35: + + 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/Makefile:560: update target 'xc_tpss.mod' due to: target does not exist +/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:487:51: + + 487 | t533, t534, t54, t541, t56, t568, t57, t58, t581, t590, t6, t60, t603, t604, t61, t611, & + | ^ +note: 't58' was declared here +true +/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:487:67: + + 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:488:29: + + 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:488:62: + + 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:488:67: + + 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:489:44: + + 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:489:94: + + 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:490:12: + + 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:490:17: + + 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:490:22: + + 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:490:37: + + 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:490:42: + + 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:490:47: + + 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:490:57: + + 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:486:96: + + 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/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:1101:82: + + 1101 | REAL(dp) :: tile_volume, vol_scfac + | ^ +note: 'vol_scfac' 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 +true +/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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:10 +14 2025\"" -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/src/xc/xc_xwpbe.F:1155:24: + + 1155 | t206 = t1*ndrho + | ^ +Warning: 't1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:83: + + 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: + + 1224 | t328 = t3*t10 + | ^ +Warning: 't10' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:990:88: + + 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:990:94: + + 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:991:13: + + 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_xwpbe.F:991:26: + + 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_xwpbe.F:1253:46: + + 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:991:32: + + 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: + + 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:991:73: + + 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: + + 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_xwpbe.F:992:13: + + 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_xwpbe.F:1112:24: + + 1112 | t131 = t11*t130 + | ^ +Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:32: + + 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: + + 1182 | *t248) - t113*t251 + | ^ +Warning: 't113' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:57: + + 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: + + 1175 | t241 = t114*t240 + | ^ +Warning: 't114' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:63: + + 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: + + 1213 | t315 = t314*t115 + | ^ +Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:992:69: + + 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: + + 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:992:82: + + 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: + + 1110 | t129 = t12*rho + | ^ +Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:993:12: + + 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:993:25: + + 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:993:54: + + 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:993:95: + + 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/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_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:994:42: + + 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_xwpbe.F:994:95: + + 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_xwpbe.F:1163:22: + + 1163 | t219 = a4*t18 + | ^ +Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:54: + + 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: + + 1117 | t140 = t19*t139 + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:995:95: + + 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_xwpbe.F:1108:23: + + 1108 | t125 = t2*t124 + | ^ +Warning: 't2' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:996:47: + + 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: + + 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:997:73: + + 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:998:42: + + 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 @@ -16638,6 +17742,436 @@ 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_xbecke_roussel.F:980:125: + + 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:823:31: + + 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: + + 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:823:37: + + 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: + + 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:823:49: + + 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: + + 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:823:55: + + 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: + + 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:823:61: + + 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: + + 969 | t249 = t109*t102 + | ^ +Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:67: + + 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: + + 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:823:73: + + 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: + + 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:823:79: + + 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: + + 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:823:85: + + 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: + + 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:823:91: + + 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: + + 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:823:97: + + 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: + + 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:824:78: + + 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: + + 933 | t162 = t4*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:825:24: + + 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: + + 965 | *t204 + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:825:65: + + 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: + + 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:826:51: + + 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: + + 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:827:24: + + 827 | t248, t249, t25, t255, t256, t258, t26, t265, t267, t272, t285, t288, t289, t29, t297, & + | ^ +note: 't25' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:929:53: + + 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:827:47: + + 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: + + 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:828:17: + + 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: + + 921 | t137 = t3*t32 + | ^ +Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:62: + + 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: + + 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:828:79: + + 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: + + 1011 | t387 = t34*t62 + | ^ +Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:90: + + 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: + + 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:829:12: + + 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: + + 935 | t167 = t36*gamma + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:829:23: + + 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: + + 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:830:49: + + 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: + + 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:830:72: + + 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: + + 925 | t154 = t42*t23 + | ^ +Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:89: + + 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: + + 1009 | - t42*t43*gamma + | ^ +Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:94: + + 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: + + 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:831:30: + + 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: + + 967 | t245 = t49**2 + | ^ +Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:831:64: + + 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 | t376 = t5*t36 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:831:68: + + 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: + + 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:832:17: + + 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: + + 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:832:21: + + 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: + + 1013 | t391 = t60*t71 + | ^ +Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:26: + + 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: + + 923 | t142 = t62*gamma + | ^ +Warning: 't62' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:31: + + 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: + + 947 | t199 = t3*t68 + | ^ +Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:51: + + 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: + + 1015 | t395 = t69*t81 + | ^ +Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:56: + + 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: + + 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:832:61: + + 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: + + 938 | t180 = t71*gamma + | ^ +Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:66: + + 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: + + 1017 | t399 = t79*t202 + | ^ +Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:91: + + 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: + + 943 | t190 = t81*gamma + | ^ +Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:96: + + 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: + + 932 | t160 = t85*t103 + | ^ +Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:17: + + 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: + + 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:833:22: + + 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: + + 950 | t204 = t203*t9 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:31: + + 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_xwpbe.F:1312:34: 1312 | (48._dp*t224*t181) @@ -17578,1936 +19112,8 @@ 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_xbecke_roussel.F:1669:86: - - 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:1503:30: - - 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: - - 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:1503:36: - - 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: - - 1762 | t525 = t143*t101 - | ^ -Warning: 't101' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:42: - - 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: - - 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:1503:48: - - 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: - - 1781 | t581 = t580*t103 - | ^ -Warning: 't103' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:54: - - 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: - - 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:1503:66: - - 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: - - 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:1503:72: - - 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: - - 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:1503:78: - - 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: - - 1788 | t614 = t613*t110 - | ^ -Warning: 't110' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1503:84: - - 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: - - 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:1503:90: - - 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: - - 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:1503:96: - - 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: - - 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:1504:19: - - 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: - - 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:1504:25: - - 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: - - 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:1504:31: - - 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: - - 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:1504:37: - - 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: - - 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:1504:43: - - 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: - - 1611 | t128 = t5*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1505:71: - - 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: - - 1616 | t138 = t21**2 - | ^ -Warning: 't21' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1506:93: - - 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: - - 1673 | t272 = R*t23 - | ^ -Warning: 't23' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1507:29: - - 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: - - 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:1508:64: - - 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: - - 1655 | t186*t191 - | ^ -Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1508:97: - - 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: - - 1734 | t450 = t31*t42 - | ^ -Warning: 't31' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:18: - - 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: - - 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:1509:53: - - 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: - - 1613 | t133 = t33*gamma - | ^ -Warning: 't33' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1509:70: - - 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: - - 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:1511:24: - - 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: - - 1623 | t157 = t4*rho - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:46: - - 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: - - 1736 | t454 = t40*t51 - | ^ -Warning: 't40' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:51: - - 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: - - 1624 | t159 = t42*gamma - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1511:74: - - 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: - - 1636 | t186 = t4*t48 - | ^ -Warning: 't48' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:35: - - 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: - - 1738 | t458 = t49*t61 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:58: - - 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: - - 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:1513:62: - - 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: - - 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:1513:67: - - 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: - - 1627 | t167 = t51*gamma - | ^ -Warning: 't51' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1513:90: - - 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: - - 1740 | t462 = t59*t189 - | ^ -Warning: 't59' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:29: - - 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: - - 1786 | t612 = t3*t6 - | ^ -Warning: 't6' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1515:45: - - 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:1515:50: - - 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: 't65' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1516:24: - - 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: - - 1675 | t280 = t108*t66 - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1516:53: - - 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: - - 1797 | t638 = t578*t83 - | ^ -Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1517:36: - - 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: - - 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:1517:41: - - 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:1517:51: - - 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:1517:56: - - 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:1517:61: - - 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:1517:66: - - 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:1517:70: - - 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:1517:75: - - 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:1517:80: - - 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:1517:85: - - 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:1517:90: - - 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:1517:95: - - 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:1518:17: - - 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:1518:22: - - 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:1165:30: - - 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:1165:36: - - 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:1165:42: - - 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:1165:48: - - 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:1165:54: - - 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:1165:66: - - 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:1165:72: - - 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:1165:78: - - 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:1165:84: - - 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:1165:90: - - 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:1165:96: - - 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:1166:13: - - 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:1166:19: - - 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:1166:25: - - 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:1166:31: - - 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:1167:65: - - 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:1168:63: - - 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:1169:30: - - 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:1170:76: - - 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: - - 1312 | t182*t187 - | ^ -Warning: 't30' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:1170:91: - - 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:1171:18: - - 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:1171:53: - - 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:1171:70: - - 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:1173:34: - - 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:1173:68: - - 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:1173:73: - - 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:1174:18: - - 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:1175:53: - - 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:1175:64: - - 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:1176:17: - - 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:1176:22: - - 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:1176:27: - - 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:1177:63: - - 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:1177:73: - - 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:1178:18: - - 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:1178:70: - - 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:1179:26: - - 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:1179:67: - - 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:1179:72: - - 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:1179:82: - - 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:1179:87: - - 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:1179:92: - - 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:1179:97: - - 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:1180:11: - - 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:1180:16: - - 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:1180:21: - - 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:1180:26: - - 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:1180:31: - - 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:1180:36: - - 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:1180:46: - - 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:1180:51: - - 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_thomas_fermi.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/src/fist_nonbond_force.F:499:93: - - 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:104:68: - - 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: - - 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:104:76: - - 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: - - 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:104:86: - - 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: - - 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:104:96: - - 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: - - 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:104:51: - - 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: - - 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:104:60: - - 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: - - 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:98:50: - - 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: - - 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:98:59: - - 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_xpbe_hole_t_c_lr.mod' due to: target does not exist -true -/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/Makefile:560: update target 'xc_perdew86.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:980:125: - - 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:823:31: - - 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: - - 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:823:37: - - 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: - - 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:823:49: - - 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: - - 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:823:55: - - 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: - - 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:823:61: - - 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: - - 969 | t249 = t109*t102 - | ^ -Warning: 't109' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:823:67: - - 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: - - 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:823:73: - - 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: - - 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:823:79: - - 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: - - 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:823:85: - - 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: - - 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:823:91: - - 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: - - 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:823:97: - - 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: - - 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:824:78: - - 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: - - 933 | t162 = t4*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:825:24: - - 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: - - 965 | *t204 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:825:65: - - 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: - - 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:826:51: - - 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: - - 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:827:24: - - 827 | t248, t249, t25, t255, t256, t258, t26, t265, t267, t272, t285, t288, t289, t29, t297, & - | ^ -note: 't25' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:929:53: - - 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:827:47: - - 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: - - 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:828:17: - - 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: - - 921 | t137 = t3*t32 - | ^ -Warning: 't32' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:62: - - 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: - - 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:828:79: - - 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: - - 1011 | t387 = t34*t62 - | ^ -Warning: 't34' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:828:90: - - 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: - - 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:829:12: - - 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: - - 935 | t167 = t36*gamma - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:829:23: - - 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: - - 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:830:49: - - 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: - - 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:830:72: - - 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: - - 925 | t154 = t42*t23 - | ^ -Warning: 't42' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:89: - - 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: - - 1009 | - t42*t43*gamma - | ^ -Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:830:94: - - 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: - - 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:831:30: - - 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: - - 967 | t245 = t49**2 - | ^ -Warning: 't49' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:831:64: - - 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 | t376 = t5*t36 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:831:68: - - 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: - - 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:832:17: - - 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: - - 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:832:21: - - 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: - - 1013 | t391 = t60*t71 - | ^ -Warning: 't60' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:26: - - 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: - - 923 | t142 = t62*gamma - | ^ -Warning: 't62' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:31: - - 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: - - 947 | t199 = t3*t68 - | ^ -Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:51: - - 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: - - 1015 | t395 = t69*t81 - | ^ -Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:56: - - 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: - - 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:832:61: - - 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: - - 938 | t180 = t71*gamma - | ^ -Warning: 't71' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:66: - - 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: - - 1017 | t399 = t79*t202 - | ^ -Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:91: - - 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: - - 943 | t190 = t81*gamma - | ^ -Warning: 't81' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:832:96: - - 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: - - 932 | t160 = t85*t103 - | ^ -Warning: 't85' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:17: - - 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: - - 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:833:22: - - 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: - - 950 | t204 = t203*t9 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:833:31: - - 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 'xc_xbeef.mod' due to: target does not exist -true -/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_xbecke_roussel.F:793:105: - - 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:579:31: - - 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: - - 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:579:37: - - 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: - - 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:579:43: - - 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_xbecke_roussel.F:664:22: - - 664 | t108 = t4*t17 - | ^ -Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:581:42: - - 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_xbecke_roussel.F:705:21: - - 705 | *t166 - | ^ -Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:581:65: - - 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: - - 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:582:24: - - 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: - - 669 | t118 = t26**2 - | ^ -Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:18: - - 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: - - 707 | t207 = t28**2 - | ^ -Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:64: - - 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_xbecke_roussel.F:720:74: - - 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:583:85: - - 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: - - 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:584:34: - - 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: - - 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:584:75: - - 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: - - 753 | t349 = t36*t47 - | ^ -Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:585:24: - - 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: - - 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:585:59: - - 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_xbecke_roussel.F:793:105: - - 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_xbecke_roussel.F:585:70: - - 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: - - 721 | t246 = t4*t38 - | ^ -Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:586:42: - - 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: - - 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:586:87: - - 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_xbecke_roussel.F:755:23: - - 755 | t353 = t45*t56 - | ^ -Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:12: - - 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: - - 675 | t134 = t47*gamma - | ^ -Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:23: - - 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: - - 748 | t340 = t5*t38 - | ^ -Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:38: - - 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: - - 687 | t161 = t3*t53 - | ^ -Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:53: - - 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: - - 757 | t357 = t54*t66 - | ^ -Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:58: - - 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: - - 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:587:63: - - 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_xbecke_roussel.F:678:25: - - 678 | t142 = t56*gamma - | ^ -Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:68: - - 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: - - 759 | t361 = t64*t164 - | ^ -Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:93: - - 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: - - 683 | t152 = t66*gamma - | ^ -Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:12: - - 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: - - 722 | t249 = t120*t70 - | ^ -Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:22: - - 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: - - 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:588:27: - - 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: - - 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:588:57: - - 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: - - 783 | t436 = t435*t88 - | ^ -Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:62: - - 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: - - 690 | t166 = t165*t9 - | ^ -Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:71: - - 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: - - 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:588:76: - - 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: - - 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:588:81: - - 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/Makefile:560: update target 'input_cp2k_mm.mod' due to: target does not exist -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:710:27: - - 710 | t217 = t21*t91*t93 - | ^ -Warning: 't93' may be used uninitialized [-Wmaybe-uninitialized] -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:86: - - 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: - - 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:588:91: - - 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: - - 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:588:96: - - 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: - - 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:589:12: - - 589 | t96, t97, yval - | ^ -note: 't96' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - - 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:589:17: - - 589 | t96, t97, yval - | ^ -note: 't97' 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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:10 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:10 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1397:29: 1397 | t132 = t1*t131 @@ -19848,8 +19454,6 @@ 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/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_vwn.F:1455:28: 1455 | t224 = t65**2 @@ -20432,757 +20036,3525 @@ note: 't204' 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: 't205' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:40: + 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:1263:40: + + 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: + + 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:1263:46: + + 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:1263:52: + + 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: + + 1648 | *t213*t513 + | ^ +Warning: 't208' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:58: + + 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:1263:64: + + 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:1263:70: + + 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:1263:76: + + 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: + + 1645 | *t214*t379 + | ^ +Warning: 't214' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:82: + + 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:1263:88: + + 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: + + 1650 | t520 = t220*t406 + | ^ +Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:94: + + 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: + + 1687 | *t583*t548)*t86)*t91 + | ^ +Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:13: + + 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: + + 1659 | t540 = t224**2 + | ^ +Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:19: + + 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: + + 1657 | t534 = t226*t393 + | ^ +Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:31: + + 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:1264:37: + + 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:1264:43: + + 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: + + 1663 | t545 = t230**2 + | ^ +Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:54: + + 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: + + 1658 | t537 = t379*t231 + | ^ +Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:60: + + 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:1264:72: + + 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:1264:78: + + 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:1264:84: + + 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: + + 1674 | t568 = t241*t567 + | ^ +Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:95: + + 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: + + 1672 | t565 = t564*t242 + | ^ +Warning: 't242' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:13: + + 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: + + 1687 | *t583*t548)*t86)*t91 + | ^ +Warning: 't243' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:19: + + 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: + + 1678 | t577 = t245*t393 + | ^ +Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:25: + + 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: + + 1687 | *t583*t548)*t86)*t91 + | ^ +Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:31: + + 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:1265:37: + + 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: + + 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:1265:43: + + 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:1265:49: + + 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:1265:55: + + 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:1265:61: + + 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:1265:67: + + 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:1265:73: + + 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:1265:79: + + 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:1265:85: + + 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: + + 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:1265:91: + + 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: + + 1733 | t666 = t287*t264 + | ^ +Warning: 't264' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:97: + + 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: + + 1715 | *t265*t627 + | ^ +Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:13: + + 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: + + 1712 | *t266*t379 + | ^ +Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:19: + + 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: + + 1754 | *t697*t662)*t122) + | ^ +Warning: 't269' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:25: + + 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: + + 1717 | t634 = t272*t406 + | ^ +Warning: 't272' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:36: + + 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: + + 1754 | *t697*t662)*t122) + | ^ +Warning: 't273' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:42: + + 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: + + 1726 | t654 = t276**2 + | ^ +Warning: 't276' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:48: + + 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: + + 1724 | t648 = t278*t393 + | ^ +Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:60: + + 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: + + 1754 | *t697*t662)*t122) + | ^ +Warning: 't279' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:66: + + 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: + + 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:1266:77: + + 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: + + 1730 | t659 = t282**2 + | ^ +Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:83: + + 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: + + 1725 | t651 = t379*t283 + | ^ +Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:89: + + 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: + + 1733 | t666 = t287*t264 + | ^ +Warning: 't287' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:13: + + 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:1267:19: + + 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: + + 1738 | t674*t619 - t291*t627 + | ^ +Warning: 't291' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:30: + + 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: + + 1741 | t682 = t293*t681 + | ^ +Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:36: + + 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: + + 1739 | t679 = t678*t294 + | ^ +Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:42: + + 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: + + 1754 | *t697*t662)*t122) + | ^ +Warning: 't295' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:48: + + 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: + + 1745 | t691 = t297*t393 + | ^ +Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:54: + + 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: + + 1754 | *t697*t662)*t122) + | ^ +Warning: 't298' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:60: + + 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: + + 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:1267:70: + + 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: + + 1809 | t783 = t305*t309 + | ^ +Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:76: + + 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: + + 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:1267:82: + + 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: + + 1824 | t804 = t732*t309 + | ^ +Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:88: + + 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: + + 1819 | t796 = t312**2 + | ^ +Warning: 't312' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:94: + + 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: + + 1773 | t732 = t315*t142 + | ^ +Warning: 't315' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:13: + + 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: + + 1808 | t782 = t316*t305 + | ^ +Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:19: + + 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: + + 1796 | t764 = t317*t254 + | ^ +Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:25: + + 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: + + 1779 | t743 = t320*t202 + | ^ +Warning: 't320' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:36: + + 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: + + 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:1268:42: + + 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: + + 1793 | t762 = t322*t254 + | ^ +Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:48: + + 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: + + 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:1268:54: + + 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:1268:60: + + 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:1268:66: + + 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: + + 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:1268:72: + + 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: + + 1842 | t825 = t732*t327 + | ^ +Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:78: + + 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: + + 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:1268:84: + + 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: + + 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:1268:90: + + 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: + + 2246 | *t136*t1986 + | ^ +Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:96: + + 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: + + 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:1269:13: + + 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: + + 2211 | t1872 = t143*t337 + | ^ +Warning: 't337' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:19: + + 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: + + 2228 | *t1094 + | ^ +Warning: 't338' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:25: + + 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: + + 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:1269:36: + + 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: + + 2246 | *t136*t1986 + | ^ +Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:42: + + 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: + + 1949 | t1096 + | ^ +Warning: 't344' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:48: + + 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: + + 2132 | *t136*t1639 + | ^ +Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:54: + + 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: + + 1951 | t1110 = t350*t142 + | ^ +Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:60: + + 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: + + 1960 | t1137 = t351*t305 + | ^ +Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:66: + + 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: + + 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:1269:72: + + 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: + + 2031 | t1363 = t353*t254 + | ^ +Warning: 't353' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:27: + + 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:1270:33: + + 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: + + 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:1270:39: + + 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: + + 2094 | t1578 = t357*t254 + | ^ +Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:45: + + 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: + + 2096 | t1582 = t359*t254 + | ^ +Warning: 't359' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:51: + + 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: + + 2030 | t1361 = t362*t202 + | ^ +Warning: 't362' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:57: + + 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: + + 2120 | + t842 - t1609 + | ^ +Warning: 't363' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:63: + + 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:1270:69: + + 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: + + 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:1270:75: + + 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: + + 2035 | t1372 = t366*t212*t1371 + | ^ +Warning: 't366' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:81: + + 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: + + 1872 | t875 = t367*t874 + | ^ +Warning: 't367' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:87: + + 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: + + 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:1271:24: + + 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: + + 2233 | *t1776 + | ^ +Warning: 't371' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:30: + + 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: + + 2034 | t1371 = t372*t217 + | ^ +Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:36: + + 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: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:48: + + 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: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:54: + + 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: + + 2038 | t1380 = t379*t217 + | ^ +Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:60: + + 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: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:71: + + 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: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:77: + + 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: + + 1879 | t893 = t385*t164 + | ^ +Warning: 't385' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:83: + + 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: + + 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:1271:89: + + 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: + + 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:1271:95: + + 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: + + 2052 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:30: + + 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: + + 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:1272:36: + + 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: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:42: + + 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: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:57: + + 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: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:63: + + 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: + + 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:1272:69: + + 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: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't407' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:75: + + 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: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:81: + + 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: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't409' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:87: + + 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: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't416' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:13: + + 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: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:19: + + 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: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't421' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:36: + + 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: + + 1907 | t1019 = t427**2 + | ^ +Warning: 't427' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:48: + + 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: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't430' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:60: + + 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: + + 1938 | *bp*t1020*t984*t1027 + | ^ +Warning: 't431' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:66: + + 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: + + 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:1273:72: + + 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: + + 1906 | t1013 = t874*t434 + | ^ +Warning: 't434' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:78: + + 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: + + 1897 | *t896 - t189*t914 + | ^ +Warning: 't439' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:90: + + 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: + + 1897 | *t896 - t189*t914 + | ^ +Warning: 't440' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:96: + + 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: + + 1889 | t945 = t443*t873 + | ^ +Warning: 't443' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:13: + + 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: + + 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:1274:19: + + 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: + + 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:1274:25: + + 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: + + 1897 | *t896 - t189*t914 + | ^ +Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:36: + + 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: + + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't454' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:42: + + 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: + + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:48: + + 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: + + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:54: + + 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: + + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't458' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:60: + + 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: + + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't459' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:66: + + 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: + + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:72: + + 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: + + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:78: + + 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: + + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't467' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:84: + + 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: + + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:90: + + 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: + + 1921 | *t45*t1020*t984*t1027 + | ^ +Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:96: + + 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: + + 2166 | t1765 = t320*t479 + | ^ +Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:13: + + 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: + + 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:1275:19: + + 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: + + 2093 | t1576 = t481*t254 + | ^ +Warning: 't481' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:25: + + 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: + + 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:1275:31: + + 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: + + 2110 | t1599)*t2)*sc + | ^ +Warning: 't483' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:37: + + 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: + + 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:1275:43: + + 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: + + 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:1275:49: + + 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: + + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:55: + + 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: + + 2110 | t1599)*t2)*sc + | ^ +Warning: 't487' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:61: + + 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: + + 2120 | + t842 - t1609 + | ^ +Warning: 't488' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:67: + + 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: + + 2110 | t1599)*t2)*sc + | ^ +Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:73: + + 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: + + 2120 | + t842 - t1609 + | ^ +Warning: 't490' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:84: + + 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: + + 2120 | + t842 - t1609 + | ^ +Warning: 't491' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:90: + + 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: + + 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:1275:96: + + 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: + + 2036 | t1374 = t493*t874 + | ^ +Warning: 't493' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:13: + + 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: + + 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:1276:25: + + 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: + + 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:1276:31: + + 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: + + 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:1276:41: + + 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: + + 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:1276:47: + + 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: + + 2042 | t1391 = t505*t217 + | ^ +Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:53: + + 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: + + 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:1276:59: + + 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: + + 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:1276:70: + + 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: + + 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:1277:27: + + 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: + + 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:1277:33: + + 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: + + 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:1277:39: + + 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: + + 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:1277:45: + + 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: + + 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:1277:51: + + 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: + + 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:1277:63: + + 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: + + 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:1277:69: + + 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: + + 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:1277:81: + + 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: + + 2061 | t1516 = t540**2 + | ^ +Warning: 't540' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:13: + + 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: + + 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:1278:25: + + 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: + + 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:1278:31: + + 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: + + 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:1278:37: + + 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: + + 2060 | t1510 = t874*t547 + | ^ +Warning: 't547' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:43: + + 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:1278:60: + + 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: + + 2052 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't553' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:66: + + 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: + + 2052 | *t560*t1394 - t239*t1404 + | ^ +Warning: 't560' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:77: + + 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: + + 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:1278:83: + + 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: + + 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:1278:89: + + 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: + + 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:1278:95: + + 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: + + 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:1279:13: + + 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: + + 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:1279:19: + + 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: + + 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:1279:30: + + 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: + + 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:1279:36: + + 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: + + 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:1279:42: + + 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: + + 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:1279:48: + + 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: + + 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:1279:54: + + 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: + + 2169 | t1776 = t317*t591 + | ^ +Warning: 't591' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:60: + + 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: + + 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:1279:66: + + 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: + + 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:1279:72: + + 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: + + 2110 | t1599)*t2)*sc + | ^ +Warning: 't594' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:78: + + 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: + + 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:1279:84: + + 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: + + 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:1279:90: + + 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: + + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't597' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:96: + + 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: + + 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:1280:13: + + 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: 't599' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:19: + + 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: + + 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:1280:34: + + 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: + + 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:1280:40: + + 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: + + 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:1280:46: + + 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: + + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't603' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:52: + + 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: + + 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:1280:58: + + 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: + + 2110 | t1599)*t2)*sc + | ^ +Warning: 't605' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:64: + + 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: + + 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:1280:70: + + 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: + + 1965 | t1151 = t607*t874 + | ^ +Warning: 't607' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:76: + + 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: + + 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:1280:93: + + 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: + + 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:1281:13: + + 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: + + 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:1281:19: + + 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: + + 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:1281:25: + + 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: + + 1971 | t1168 = t619*t269 + | ^ +Warning: 't619' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:31: + + 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: + + 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:1281:37: + + 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: + + 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:1281:43: + + 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: + + 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:1281:49: + + 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: + + 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:1281:55: + + 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: + + 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:1281:61: + + 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: + + 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:1281:67: + + 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: + + 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:1281:73: + + 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: + + 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:1281:90: + + 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: + + 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:1281:96: + + 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: + + 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:1282:19: + + 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: + + 1982 | t1244 = t654**2 + | ^ +Warning: 't654' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:36: + + 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: + + 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:1282:48: + + 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: + + 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:1282:54: + + 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: + + 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:1282:60: + + 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: 't661' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:66: + + 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: + + 1992 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't666' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:78: + + 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: + + 1992 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't667' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:84: + + 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: + + 1992 | *t674*t1171 - t291*t1181 + | ^ +Warning: 't674' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:90: + + 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: + + 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:1282:96: + + 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: + + 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:1283:13: + + 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: + + 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:1283:24: + + 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:1283:30: + + 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: + + 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:1283:36: + + 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: + + 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:1283:42: + + 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: + + 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:1283:48: + + 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: + + 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:1283:54: + + 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: + + 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:1283:60: + + 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: + + 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:1283:66: + + 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: + + 2150 | t1696 = t316*t704 + | ^ +Warning: 't704' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:27: + + 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: + + 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:1284:33: + + 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: + + 2194 | *t725*t371 + | ^ +Warning: 't716' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:63: + + 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: + + 2194 | *t725*t371 + | ^ +Warning: 't719' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:69: + + 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: + + 2194 | *t725*t371 + | ^ +Warning: 't722' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:75: + + 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: + + 2194 | *t725*t371 + | ^ +Warning: 't725' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:81: + + 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: + + 2141 | t1671 = t728*t142 + | ^ +Warning: 't728' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:87: + + 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:1284:93: + + 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:1285:18: + + 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:1285:24: + + 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: + + 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:1285:30: + + 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: + + 2228 | *t1094 + | ^ +Warning: 't735' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:36: + + 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: + + 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:1285:47: + + 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: + + 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:1285:53: + + 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: + + 2270 | t2048)*t2)*sc + | ^ +Warning: 't743' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:59: + + 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: + + 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:1285:65: + + 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: + + 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:1285:71: + + 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: + + 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:1285:77: + + 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: + + 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:1285:83: + + 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: + + 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:1285:94: + + 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: + + 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:1286:13: + + 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: + + 2233 | *t1776 + | ^ +Warning: 't752' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:19: + + 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: + + 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:1286:25: + + 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: + + 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:1286:31: + + 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: + + 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:1286:37: + + 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: + + 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:1286:43: + + 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: + + 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:1286:49: + + 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: + + 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:1286:55: + + 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: + + 2270 | t2048)*t2)*sc + | ^ +Warning: 't762' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:61: + + 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: + + 2270 | t2048)*t2)*sc + | ^ +Warning: 't764' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:73: + + 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: + + 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:1286:79: + + 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: + + 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:1286:85: + + 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: + + 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:1286:91: + + 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: + + 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:1287:13: + + 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: + + 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:1287:19: + + 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: + + 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:1287:25: + + 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: + + 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:1287:31: + + 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: + + 2233 | *t1776 + | ^ +Warning: 't777' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:37: + + 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: + + 2233 | *t1776 + | ^ +Warning: 't778' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:43: + + 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: + + 2233 | *t1776 + | ^ +Warning: 't779' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:49: + + 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: + + 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:1287:55: + + 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: + + 2270 | t2048)*t2)*sc + | ^ +Warning: 't782' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:61: + + 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: + + 2197 | t1836 = t732*t783 + | ^ +Warning: 't783' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:67: + + 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: + + 2270 | t2048)*t2)*sc + | ^ +Warning: 't784' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:73: + + 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: + + 2241 | t1979 = t789*t309 + | ^ +Warning: 't789' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:85: + + 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: + + 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:1287:91: + + 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: + + 2246 | *t136*t1986 + | ^ +Warning: 't796' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:97: + + 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: + + 2246 | *t136*t1986 + | ^ +Warning: 't799' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:13: + + 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: + + 2204 | t1858 = t802*t142 + | ^ +Warning: 't802' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:28: + + 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: + + 2215 | t1893 = t803*t305 + | ^ +Warning: 't803' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:34: + + 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: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + 2210 | t1870 = t804*t254 + | ^ +Warning: 't804' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:40: + + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ -note: 't205' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1763:88: +note: 't804' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2202:32: - 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:1263:46: + 2202 | t1850 = t806*t254 + | ^ +Warning: 't806' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:46: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ -note: 't206' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: +note: 't806' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2214:32: - 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:1263:52: + 2214 | t1891 = t808*t254 + | ^ +Warning: 't808' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:52: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ -note: 't207' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1648:32: +note: 't808' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2198:32: - 1648 | *t213*t513 + 2198 | t1838 = t811*t202 | ^ -Warning: 't208' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:58: +Warning: 't811' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:58: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ -note: 't208' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1640:39: +note: 't811' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 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:1263:64: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't812' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:64: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ -note: 't211' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1666:31: +note: 't812' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - 1666 | t552 = t235*t212 - | ^ -Warning: 't212' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:70: + 2120 | + t842 - t1609 + | ^ +Warning: 't813' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:70: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ -note: 't212' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1648:32: +note: 't813' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2196:32: - 1648 | *t213*t513 + 2196 | t1832 = t814*t254 | ^ -Warning: 't213' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:76: +Warning: 't814' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:76: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ -note: 't213' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1645:32: +note: 't814' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1645 | *t214*t379 - | ^ -Warning: 't214' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:82: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't815' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:82: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ -note: 't214' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1687:64: +note: 't815' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1687 | *t583*t548)*t86)*t91 - | ^ -Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:88: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't816' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:88: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ -note: 't217' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1650:31: +note: 't816' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: - 1650 | t520 = t220*t406 - | ^ -Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1263:94: + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't817' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:94: - 1263 | REAL(KIND=dp) :: t204, t2048, t205, t206, t207, t208, t211, t212, t213, t214, t217, t220, & + 1288 | t799, t8, t80, t802, t803, t804, t806, t808, t811, t812, t813, t814, t815, t816, t817, & | ^ -note: 't220' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1687:64: - - 1687 | *t583*t548)*t86)*t91 - | ^ -Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:13: - - 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: - - 1659 | t540 = t224**2 - | ^ -Warning: 't224' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:19: - - 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: - - 1657 | t534 = t226*t393 - | ^ -Warning: 't226' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:31: - - 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:1264:37: +note: 't817' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - 1264 | t221, t224, t225, t226, t227, t228, t23, t230, t231, t232, t235, t236, t239, t24, t241, & + 2120 | + t842 - t1609 | ^ -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:1264:43: - - 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: - - 1663 | t545 = t230**2 - | ^ -Warning: 't230' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:54: - - 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: - - 1658 | t537 = t379*t231 - | ^ -Warning: 't231' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:60: - - 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:1264:72: - - 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:1264:78: - - 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:1264:84: - - 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: - - 1674 | t568 = t241*t567 - | ^ -Warning: 't241' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1264:95: - - 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: - - 1672 | t565 = t564*t242 - | ^ -Warning: 't242' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:13: +Warning: 't818' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:13: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't242' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1687:64: +note: 't818' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1687 | *t583*t548)*t86)*t91 - | ^ -Warning: 't243' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:19: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't819' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:19: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't243' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1678:31: +note: 't819' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: - 1678 | t577 = t245*t393 - | ^ -Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:25: + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't820' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:25: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't245' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1687:64: +note: 't820' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1687 | *t583*t548)*t86)*t91 - | ^ -Warning: 't246' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:31: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't821' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:31: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't246' was declared here -/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_vwn.F:2159:52: +note: 't821' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: - 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:1265:37: + 2236 | - t820 + t486 + t603 - t822 + | ^ +Warning: 't822' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:37: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't252' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2167:49: +note: 't822' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - 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:1265:43: + 2120 | + t842 - t1609 + | ^ +Warning: 't823' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:43: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't253' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1796:31: +note: 't823' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1796 | t764 = t317*t254 - | ^ -Warning: 't254' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:49: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't824' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:49: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't254' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1759:35: +note: 't824' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 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:1265:55: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't825' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:55: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't255' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: +note: 't825' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2186:60: - 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:1265:61: + 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:1289:61: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't256' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1799:31: +note: 't826' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - 1799 | t769 = t732*t257 - | ^ -Warning: 't257' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:67: + 2120 | + t842 - t1609 + | ^ +Warning: 't827' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:67: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't257' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1763:88: +note: 't827' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2264:80: - 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:1265:73: + 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:1289:73: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't258' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1816:90: +note: 't828' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 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:1265:79: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't829' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:79: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't259' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1715:32: +note: 't829' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2186:60: - 1715 | *t265*t627 - | ^ -Warning: 't260' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:85: + 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:1289:85: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't260' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1707:39: +note: 't830' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - 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:1265:91: + 2120 | + t842 - t1609 + | ^ +Warning: 't831' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:91: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't263' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1733:31: +note: 't831' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2264:80: - 1733 | t666 = t287*t264 - | ^ -Warning: 't264' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1265:97: + 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:1289:97: - 1265 | t242, t243, t245, t246, t252, t253, t254, t255, t256, t257, t258, t259, t260, t263, t264, & + 1289 | t818, t819, t820, t821, t822, t823, t824, t825, t826, t827, t828, t829, t830, t831, t832, & | ^ -note: 't264' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1715:32: +note: 't832' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - 1715 | *t265*t627 - | ^ -Warning: 't265' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:13: + 2270 | t2048)*t2)*sc + | ^ +Warning: 't833' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1290:13: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + 1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 | ^ -note: 't265' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1712:32: +note: 't833' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2186:60: - 1712 | *t266*t379 - | ^ -Warning: 't266' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:19: + 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:1290:19: - 1266 | t265, t266, t269, t27, t272, t273, t276, t277, t278, t279, t28, t280, t282, t283, t284, & + 1290 | t833, t834, t835, t84, t842, t851, t857, t859, t86, t862, t864 | ^ -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:1266:25: +note: 't834' 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_xbecke_roussel.F:793:105: - 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: + 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:579:31: - 1717 | t634 = t272*t406 + 579 | REAL(KIND=dp) :: t1, t100, t101, t102, t108, t111, t113, t114, t117, t118, t120, t121, t122, & | ^ -Warning: 't272' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:36: +note: 't100' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 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: + 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:579:37: - 1754 | *t697*t662)*t122) - | ^ -Warning: 't273' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:42: + 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: - 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: + 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:579:43: - 1726 | t654 = t276**2 - | ^ -Warning: 't276' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:48: + 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_xbecke_roussel.F:664:22: - 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: + 664 | t108 = t4*t17 + | ^ +Warning: 't17' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:581:42: - 1724 | t648 = t278*t393 - | ^ -Warning: 't278' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:60: + 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_xbecke_roussel.F:705:21: - 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: + 705 | *t166 + | ^ +Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:581:65: - 1754 | *t697*t662)*t122) - | ^ -Warning: 't279' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:66: + 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: - 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: + 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:582:24: - 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:1266:77: + 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: - 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: + 669 | t118 = t26**2 + | ^ +Warning: 't26' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:18: - 1730 | t659 = t282**2 - | ^ -Warning: 't282' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:83: + 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: - 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: + 707 | t207 = t28**2 + | ^ +Warning: 't28' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:583:64: - 1725 | t651 = t379*t283 - | ^ -Warning: 't283' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1266:89: + 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_xbecke_roussel.F:720:74: - 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: + 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:583:85: - 1733 | t666 = t287*t264 - | ^ -Warning: 't287' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:13: + 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: - 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: + 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:584:34: - 1738 | t674*t619 - t291*t627 - | ^ -Warning: 't288' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:19: + 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: - 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: + 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:584:75: - 1738 | t674*t619 - t291*t627 - | ^ -Warning: 't291' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:30: + 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: - 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: + 753 | t349 = t36*t47 + | ^ +Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:585:24: - 1741 | t682 = t293*t681 - | ^ -Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:36: + 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: - 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: + 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:585:59: - 1739 | t679 = t678*t294 - | ^ -Warning: 't294' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:42: + 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_xbecke_roussel.F:793:105: - 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: + 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_xbecke_roussel.F:585:70: - 1754 | *t697*t662)*t122) - | ^ -Warning: 't295' 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="\"Fri May 15 10:04:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_vwn.F:1267:48: + 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: - 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: + 721 | t246 = t4*t38 + | ^ +Warning: 't4' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:586:42: - 1745 | t691 = t297*t393 - | ^ -Warning: 't297' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:54: + 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: - 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: + 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:586:87: - 1754 | *t697*t662)*t122) - | ^ -Warning: 't298' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:60: + 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_xbecke_roussel.F:755:23: - 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: + 755 | t353 = t45*t56 + | ^ +Warning: 't45' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:12: - 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:1267:70: + 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: - 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: + 675 | t134 = t47*gamma + | ^ +Warning: 't47' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:23: - 1809 | t783 = t305*t309 - | ^ -Warning: 't305' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:76: + 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: - 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: + 748 | t340 = t5*t38 + | ^ +Warning: 't5' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:38: - 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:1267:82: + 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: - 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: + 687 | t161 = t3*t53 + | ^ +Warning: 't53' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:53: - 1824 | t804 = t732*t309 - | ^ -Warning: 't309' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:88: + 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: - 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: + 757 | t357 = t54*t66 + | ^ +Warning: 't54' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:58: - 1819 | t796 = t312**2 - | ^ -Warning: 't312' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1267:94: + 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: - 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: + 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:587:63: - 1773 | t732 = t315*t142 - | ^ -Warning: 't315' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:13: + 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_xbecke_roussel.F:678:25: - 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: + 678 | t142 = t56*gamma + | ^ +Warning: 't56' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:68: - 1808 | t782 = t316*t305 - | ^ -Warning: 't316' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:19: + 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: - 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: + 759 | t361 = t64*t164 + | ^ +Warning: 't64' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:587:93: - 1796 | t764 = t317*t254 - | ^ -Warning: 't317' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:25: + 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: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + 683 | t152 = t66*gamma | ^ -note: 't317' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1779:31: - - 1779 | t743 = t320*t202 - | ^ -Warning: 't320' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:36: +Warning: 't66' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:12: - 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: + 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: - 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:1268:42: + 722 | t249 = t120*t70 + | ^ +Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:22: - 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: + 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: - 1793 | t762 = t322*t254 - | ^ -Warning: 't322' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:48: + 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:588:27: - 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: + 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: - 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:1268:54: + 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:588:57: - 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: + 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: - 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:1268:60: + 783 | t436 = t435*t88 + | ^ +Warning: 't88' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:62: - 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: + 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: - 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:1268:66: + 690 | t166 = t165*t9 + | ^ +Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:588:71: - 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: + 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: - 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:1268:72: + 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:588:76: - 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: + 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: - 1842 | t825 = t732*t327 - | ^ -Warning: 't327' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:78: + 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:588:81: - 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: + 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: - 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:1268:84: + 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:588:86: - 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: + 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: - 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:1268:90: + 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:588:91: - 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: + 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: - 2246 | *t136*t1986 - | ^ -Warning: 't332' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1268:96: + 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:588:96: - 1268 | t315, t316, t317, t32, t320, t321, t322, t323, t324, t325, t326, t327, t328, t329, t332, & + 588 | t66, t67, t70, t71, t72, t75, t78, t81, t84, t87, t88, t89, t9, t91, t92, t93, t94, t95, & | ^ -note: 't332' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2163:75: +note: 't95' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: - 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:1269:13: + 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:589:12: - 1269 | t333, t337, t338, t34, t340, t343, t344, t347, t350, t351, t352 - | ^ -note: 't333' was declared here + 589 | t96, t97, yval + | ^ +note: 't96' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke_roussel.F:793:105: + + 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:589:17: + + 589 | t96, t97, yval + | ^ +note: 't97' 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="\"Sun Apr 13 06:29:10 +14 2025\"" -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 +/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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_b97.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:10 +14 2025\"" -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/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="\"Sun Apr 13 06:29:10 +14 2025\"" -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/src/xc/xc_xbecke88_lr_adiabatic.F:594:39: 594 | t306 = 0.1e1_dp/t10/t224 @@ -21193,21 +23565,11 @@ 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_vwn.F:2211:32: - - 2211 | t1872 = t143*t337 - | ^ -Warning: 't337' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:635:71: 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_vwn.F:1269:19: - - 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_xbecke88_lr_adiabatic.F:274:48: 274 | t1004, t1008, t1012, t1014, t1019, t102, t1021, t1024, t1026, t103, t1030, t1033, t1034, & @@ -21223,21 +23585,11 @@ 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_vwn.F:2228:29: - - 2228 | *t1094 - | ^ -Warning: 't338' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:600:30: 600 | t316 = t97*t104 | ^ Warning: 't104' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:25: - - 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_xbecke88_lr_adiabatic.F:275:20: 275 | t1036, t104, t1040, t1044, t1046, t105, t1050, t1054, t1055, t1056, t1058, t1059, t106, & @@ -21253,16 +23605,6 @@ 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_vwn.F:2173:64: - - 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:1269:36: - - 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_xbecke88_lr_adiabatic.F:1462:31: 1462 | t2204 = t10*t106 @@ -21273,286 +23615,106 @@ 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_vwn.F:2246:34: - - 2246 | *t136*t1986 - | ^ -Warning: 't343' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:42: - - 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_xbecke88_lr_adiabatic.F:746:73: 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_vwn.F:1949:28: - - 1949 | t1096 - | ^ -Warning: 't344' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:276:48: 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_vwn.F:1269:48: - - 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_xbecke88_lr_adiabatic.F:741:45: 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_vwn.F:2132:34: - - 2132 | *t136*t1639 - | ^ -Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:54: - - 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_xbecke88_lr_adiabatic.F:276:75: 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_vwn.F:1951:32: - - 1951 | t1110 = t350*t142 - | ^ -Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:60: - - 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_xbecke88_lr_adiabatic.F:738:30: 738 | t624 = beta*t11 | ^ Warning: 't11' may be used uninitialized [-Wmaybe-uninitialized] -/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_xbecke88_lr_adiabatic.F:277:33: 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_vwn.F:1269:66: - - 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: - - 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_xbecke88_lr_adiabatic.F:750:49: 750 | *t615 - 0.20e1_dp*t102*t646 | ^ Warning: 't112' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1269:72: - - 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_xbecke88_lr_adiabatic.F:277:81: 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_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:1270:27: - - 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_xbecke88_lr_adiabatic.F:620:81: 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_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:1270:33: - - 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_xbecke88_lr_adiabatic.F:278:41: 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_vwn.F:2163:75: - - 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:1270:39: - - 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_xbecke88_lr_adiabatic.F:1188:50: 1188 | t1636 = 0.5600000000e2_dp*t624*t115 | ^ Warning: 't115' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2094:32: - - 2094 | t1578 = t357*t254 - | ^ -Warning: 't357' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:278:75: 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_vwn.F:1270:45: - - 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: - - 2096 | t1582 = t359*t254 - | ^ -Warning: 't359' may be used uninitialized [-Wmaybe-uninitialized] /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: 't116' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:51: - - 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_xbecke88_lr_adiabatic.F:278:95: 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_vwn.F:2030:32: - - 2030 | t1361 = t362*t202 - | ^ -Warning: 't362' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:57: - - 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_xbecke88_lr_adiabatic.F:631:32: 631 | *t366*t372 | ^ Warning: 't119' may be used uninitialized [-Wmaybe-uninitialized] -/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:1270:63: - - 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_xbecke88_lr_adiabatic.F:279:48: 279 | t1161, t1168, t1172, t1176, t1189, t119, t1191, t1192, t1193 | ^ note: 't119' 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_xbecke88_lr_adiabatic.F:596:28: 596 | t308 = t12**2 | ^ Warning: 't12' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:69: - - 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_xbecke88_lr_adiabatic.F:280:33: 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_vwn.F:2186:60: - - 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:1270:75: - - 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_xbecke88_lr_adiabatic.F:620:81: 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_vwn.F:2035:38: - - 2035 | t1372 = t366*t212*t1371 - | ^ -Warning: 't366' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:280:88: 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_vwn.F:1270:81: - - 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: - - 1872 | t875 = t367*t874 - | ^ -Warning: 't367' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1270:87: - - 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: - - 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:1271:24: - - 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_xbecke88_lr_adiabatic.F:1668:76: 1668 | t1143*t183*t2779 + 0.1200000000e2_dp*t473*t1157*t2368 @@ -21563,16 +23725,6 @@ 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_vwn.F:2233:29: - - 2233 | *t1776 - | ^ -Warning: 't371' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:30: - - 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_xbecke88_lr_adiabatic.F:746:73: 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 @@ -21583,76 +23735,36 @@ 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_vwn.F:2034:32: - - 2034 | t1371 = t372*t217 - | ^ -Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:809:44: 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_vwn.F:1271:36: - - 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_xbecke88_lr_adiabatic.F:282:33: 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_vwn.F:1938:43: - - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't375' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:626:40: 626 | t371 = 0.1e1_dp/t131/t130 | ^ Warning: 't130' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:48: - - 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_xbecke88_lr_adiabatic.F:282:39: 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_vwn.F:1938:43: - - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't376' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:626:40: 626 | t371 = 0.1e1_dp/t131/t130 | ^ Warning: 't131' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:54: - - 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_xbecke88_lr_adiabatic.F:282:73: 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_vwn.F:2038:32: - - 2038 | t1380 = t379*t217 - | ^ -Warning: 't379' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:60: - - 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_xbecke88_lr_adiabatic.F:746:73: 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 @@ -21663,16 +23775,6 @@ 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_vwn.F:1938:43: - - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't383' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:71: - - 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_xbecke88_lr_adiabatic.F:746:73: 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 @@ -21683,46 +23785,16 @@ 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_vwn.F:1938:43: - - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't384' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1271:77: - - 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: - - 1879 | t893 = t385*t164 - | ^ -Warning: 't385' may be used uninitialized [-Wmaybe-uninitialized] /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_vwn.F:1271:83: - - 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_xbecke88_lr_adiabatic.F:283:47: 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_vwn.F:1882:49: - - 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:1271:89: - - 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_xbecke88_lr_adiabatic.F:750:49: 750 | *t615 - 0.20e1_dp*t102*t646 @@ -21733,86 +23805,26 @@ 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_vwn.F:2075:69: - - 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:1271:95: - - 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: - - 2052 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:30: - - 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_xbecke88_lr_adiabatic.F:1726:80: 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_vwn.F:1886:62: - - 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_xbecke88_lr_adiabatic.F:284:47: 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_vwn.F:1272:36: - - 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: - - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't399' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:42: - - 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_xbecke88_lr_adiabatic.F:783:70: 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_vwn.F:1938:43: - - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:284:53: 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_vwn.F:1272:57: - - 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: - - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't403' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:63: - - 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_xbecke88_lr_adiabatic.F:714:98: 714 | t46*t541))*sx @@ -21823,46 +23835,16 @@ 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_vwn.F:2091:73: - - 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:1272:69: - - 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_xbecke88_lr_adiabatic.F:714:98: 714 | t46*t541))*sx | ^ Warning: 't144' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't407' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:75: - - 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_xbecke88_lr_adiabatic.F:285:83: 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_vwn.F:1938:43: - - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:81: - - 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_xbecke88_lr_adiabatic.F:641:31: 641 | t393 = t392*t149 @@ -21873,41 +23855,16 @@ 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_vwn.F:1938:43: - - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't409' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1272:87: - - 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_xbecke88_lr_adiabatic.F:656:32: 656 | t428 = omega*t150 | ^ Warning: 't150' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1938:43: - - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't416' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:288:25: 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_vwn.F:1273:13: - - 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: - - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:647:30: 647 | t405 = t151*t44 @@ -21918,11 +23875,6 @@ 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_vwn.F:1273:19: - - 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_xbecke88_lr_adiabatic.F:654:35: 654 | *t49*t245*t25 @@ -21933,21 +23885,11 @@ 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_vwn.F:1938:43: - - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't421' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:654:35: 654 | *t49*t245*t25 | ^ Warning: 't156' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:36: - - 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_xbecke88_lr_adiabatic.F:290:89: 290 | t1541, t1543, t1545, t1546, t1547, t1549, t155, t1552, t1553, t1556, t1557, t156, t1560, & @@ -21968,21 +23910,11 @@ 642 | t394 = t393*t160 | ^ Warning: 't160' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1907:30: - - 1907 | t1019 = t427**2 - | ^ -Warning: 't427' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:292:95: 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_vwn.F:1273:48: - - 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_xbecke88_lr_adiabatic.F:783:70: 783 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735 @@ -22003,23 +23935,11 @@ 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_vwn.F:1938:43: - - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't430' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:708:26: 708 | t537 | ^ Warning: 't165' 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/src/xc/xc_vwn.F:1273:60: - - 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/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:296:20: 296 | t1649, t165, t1652, t1654, t1656, t1658, t166, t1660, t1662, t1664, t1667, t1669, t1671, & @@ -22035,11 +23955,6 @@ 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_vwn.F:1938:43: - - 1938 | *bp*t1020*t984*t1027 - | ^ -Warning: 't431' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:708:26: 708 | t537 @@ -22050,11 +23965,6 @@ 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_vwn.F:1273:66: - - 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_xbecke88_lr_adiabatic.F:708:26: 708 | t537 @@ -22070,21 +23980,11 @@ 708 | t537 | ^ Warning: 't171' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1910:43: - - 1910 | t1027 = t865/t432/t178*t1025 - | ^ -Warning: 't432' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:298:80: 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_vwn.F:1273:72: - - 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_xbecke88_lr_adiabatic.F:783:70: 783 | *t165*t462*t561 + 0.3333333334e0_dp*t55*t57*t735 @@ -22100,21 +24000,11 @@ 668 | t470 = t176*t40 | ^ Warning: 't176' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1906:32: - - 1906 | t1013 = t874*t434 - | ^ -Warning: 't434' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:301:34: 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_vwn.F:1273:78: - - 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_xbecke88_lr_adiabatic.F:764:31: 764 | t708 = t707*t177 @@ -22125,11 +24015,6 @@ 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_vwn.F:1897:39: - - 1897 | *t896 - t189*t914 - | ^ -Warning: 't439' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:754:31: 754 | t658 = t657*t178 @@ -22140,26 +24025,11 @@ 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_vwn.F:1273:90: - - 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: - - 1897 | *t896 - t189*t914 - | ^ -Warning: 't440' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2710:36: 2710 | t5011 + t5001 | ^ Warning: 't18' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1273:96: - - 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_xbecke88_lr_adiabatic.F:303:19: 303 | t1797, t18, t1800, t1801, t1804, t1807, t1810, t1811, t1814, t1817, t182, t1821, t1822, & @@ -22175,11 +24045,6 @@ 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_vwn.F:1889:31: - - 1889 | t945 = t443*t873 - | ^ -Warning: 't443' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:679:35: 679 | *t61*t262*t25 @@ -22190,11 +24055,6 @@ 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_vwn.F:1274:13: - - 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_xbecke88_lr_adiabatic.F:774:30: 774 | t732 = t60*t187 @@ -22210,11 +24070,6 @@ 682 | t503 = t189*t67 | ^ Warning: 't189' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - - 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_xbecke88_lr_adiabatic.F:306:34: 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & @@ -22225,11 +24080,6 @@ 646 | t401 = t19*t140 | ^ Warning: 't19' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:19: - - 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_xbecke88_lr_adiabatic.F:306:67: 306 | t1884, t1885, t1886, t189, t1891, t1892, t1895, t1898, t19, t1901, t1902, t1905, t1908, & @@ -22245,11 +24095,6 @@ 307 | t1912, t1914, t1917, t192, t1920, t1923, t1924, t1925 | ^ note: 't192' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - - 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_xbecke88_lr_adiabatic.F:691:36: 691 | t527 = t194*t187*t526 @@ -22260,11 +24105,6 @@ 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_vwn.F:1274:25: - - 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_xbecke88_lr_adiabatic.F:578:30: 578 | t271 = t195*t17 @@ -22275,21 +24115,11 @@ 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_vwn.F:1897:39: - - 1897 | *t896 - t189*t914 - | ^ -Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:778:87: 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_vwn.F:1274:36: - - 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_xbecke88_lr_adiabatic.F:309:20: 309 | t1958, t196, t1961, t1962, t1965, t1966, t1969, t1971, t1972, t1973, t1974, t1975, t1977, & @@ -22305,21 +24135,11 @@ 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_vwn.F:1921:44: - - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't454' may be used uninitialized [-Wmaybe-uninitialized] /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_vwn.F:1274:42: - - 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_xbecke88_lr_adiabatic.F:310:74: 310 | t1980, t1981, t1984, t1987, t1988, t199, t1991, t1994, t1997, t20, t200, t2000, t2001, & @@ -22330,21 +24150,11 @@ 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_vwn.F:1921:44: - - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:310:80: 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_vwn.F:1274:48: - - 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_xbecke88_lr_adiabatic.F:667:30: 667 | t466 = t27*t203 @@ -22360,21 +24170,11 @@ 638 | t384 = t45*t207 | ^ Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: - - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't457' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:312:62: 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_vwn.F:1274:54: - - 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_xbecke88_lr_adiabatic.F:684:29: 684 | t511 = t22*t70 @@ -22390,21 +24190,11 @@ 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_vwn.F:1921:44: - - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't458' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:318:47: 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_vwn.F:1274:60: - - 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_xbecke88_lr_adiabatic.F:750:49: 750 | *t615 - 0.20e1_dp*t102*t646 @@ -22415,11 +24205,6 @@ 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_vwn.F:1921:44: - - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't459' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:708:26: 708 | t537 @@ -22430,21 +24215,6 @@ 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_vwn.F:1274:66: - - 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: - - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:72: - - 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_xbecke88_lr_adiabatic.F:2690:32: 2690 | t6267 = t26*t1447 @@ -22455,11 +24225,6 @@ 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_vwn.F:1921:44: - - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't464' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:667:30: 667 | t466 = t27*t203 @@ -22470,11 +24235,6 @@ 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_vwn.F:1274:78: - - 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_xbecke88_lr_adiabatic.F:631:32: 631 | *t366*t372 @@ -22485,21 +24245,11 @@ 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_vwn.F:1921:44: - - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't467' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:605:39: 605 | t326 = 0.1e1_dp/t103/t35 | ^ Warning: 't35' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1274:84: - - 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_xbecke88_lr_adiabatic.F:331:19: 331 | t3497, t35, t350, t3501, t3505, t3507, t3512, t3513, t3514, t352, t3525, t3533, t3543, & @@ -22510,11 +24260,6 @@ 599 | t313 = t311*t36*my_rho | ^ Warning: 't36' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1921:44: - - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:94: 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & @@ -22525,11 +24270,6 @@ 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_vwn.F:1274:90: - - 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_xbecke88_lr_adiabatic.F:334:19: 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & @@ -22545,11 +24285,6 @@ 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_vwn.F:1921:44: - - 1921 | *t45*t1020*t984*t1027 - | ^ -Warning: 't473' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:668:30: 668 | t470 = t176*t40 @@ -22560,11 +24295,6 @@ 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_vwn.F:1274:96: - - 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_xbecke88_lr_adiabatic.F:643:39: 643 | t398 = 0.1e1_dp/t41/t176 @@ -22590,21 +24320,11 @@ 714 | t46*t541))*sx | ^ Warning: 't43' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2166:32: - - 2166 | t1765 = t320*t479 - | ^ -Warning: 't479' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:339:92: 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_vwn.F:1275:13: - - 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_xbecke88_lr_adiabatic.F:714:98: 714 | t46*t541))*sx @@ -22625,11 +24345,6 @@ 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_vwn.F:1860:35: - - 1860 | t842 = 0.3e1_dp*t480 - | ^ -Warning: 't480' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:587:38: 587 | t289 = my_rho*t48*omega @@ -22640,11 +24355,6 @@ 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_vwn.F:1275:19: - - 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_xbecke88_lr_adiabatic.F:654:35: 654 | *t49*t245*t25 @@ -22665,21 +24375,11 @@ 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_vwn.F:2093:32: - - 2093 | t1576 = t481*t254 - | ^ -Warning: 't481' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:714:98: 714 | t46*t541))*sx | ^ Warning: 't55' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:25: - - 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_xbecke88_lr_adiabatic.F:364:26: 364 | REAL(KIND=dp) :: t55, t550, t5503, t5507, t5509, t551, t5511, t5516, t5523, t5525, t5528, & @@ -22705,21 +24405,11 @@ 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_vwn.F:2180:79: - - 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_xbecke88_lr_adiabatic.F:767:30: 767 | t713 = t58*t649 | ^ Warning: 't58' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:31: - - 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_xbecke88_lr_adiabatic.F:373:53: 373 | t5786, t5789, t579, t5792, t5795, t5797, t58, t5801, t5804, t5807, t5810, t5813, t5816, & @@ -22735,11 +24425,6 @@ 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_vwn.F:2110:105: - - 2110 | t1599)*t2)*sc - | ^ -Warning: 't483' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:622:33: 622 | t365 = t6*my_ndrho @@ -22750,11 +24435,6 @@ 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_vwn.F:1275:37: - - 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_xbecke88_lr_adiabatic.F:774:30: 774 | t732 = t60*t187 @@ -22770,11 +24450,6 @@ 679 | *t61*t262*t25 | ^ Warning: 't61' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2180:79: - - 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_xbecke88_lr_adiabatic.F:382:73: 382 | t6078, t6079, t608, t6087, t609, t6090, t6091, t6094, t6099, t61, t6102, t6106, t6109, & @@ -22785,11 +24460,6 @@ 679 | *t61*t262*t25 | ^ Warning: 't62' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:43: - - 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_xbecke88_lr_adiabatic.F:385:61: 385 | REAL(KIND=dp) :: t6186, t6189, t6192, t6194, t6198, t62, t6201, t6207, t6210, t6213, t6216, & @@ -22800,21 +24470,11 @@ 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_vwn.F:2180:79: - - 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_xbecke88_lr_adiabatic.F:389:93: 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_vwn.F:1275:49: - - 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_xbecke88_lr_adiabatic.F:687:30: 687 | t516 = t66*t515 @@ -22830,66 +24490,26 @@ 648 | t406 = t68*t140 | ^ Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: - - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't486' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:392:49: 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_vwn.F:1275:55: - - 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_xbecke88_lr_adiabatic.F:1680:30: 1680 | t3097 = t66*t69 | ^ Warning: 't69' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2110:105: - - 2110 | t1599)*t2)*sc - | ^ -Warning: 't487' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:61: - - 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_xbecke88_lr_adiabatic.F:392:60: 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_vwn.F:2120:37: - - 2120 | + t842 - t1609 - | ^ -Warning: 't488' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:67: - - 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_xbecke88_lr_adiabatic.F:746:73: 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_vwn.F:2110:105: - - 2110 | t1599)*t2)*sc - | ^ -Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:73: - - 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_xbecke88_lr_adiabatic.F:392:64: 392 | REAL(KIND=dp) :: t67, t672, t673, t679, t68, t689, t69, t7, t70, t705, t707, t708, t709, & @@ -22900,31 +24520,11 @@ 684 | t511 = t22*t70 | ^ Warning: 't70' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2120:37: - - 2120 | + t842 - t1609 - | ^ -Warning: 't490' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:84: - - 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_xbecke88_lr_adiabatic.F:392:69: 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_vwn.F:2120:37: - - 2120 | + t842 - t1609 - | ^ -Warning: 't491' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1275:90: - - 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_xbecke88_lr_adiabatic.F:778:87: 778 | t200 - 0.5555555558e-1_dp*t192*t729 - 0.5000000001e0_dp*t732*t709 @@ -22935,16 +24535,6 @@ 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_vwn.F:2186:60: - - 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:1275:96: - - 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_xbecke88_lr_adiabatic.F:663:30: 663 | t450 = t114*t74 @@ -22955,16 +24545,6 @@ 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_vwn.F:2036:32: - - 2036 | t1374 = t493*t874 - | ^ -Warning: 't493' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:13: - - 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_xbecke88_lr_adiabatic.F:714:98: 714 | t46*t541))*sx @@ -22975,86 +24555,36 @@ 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_vwn.F:2091:73: - - 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:1276:25: - - 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_xbecke88_lr_adiabatic.F:714:98: 714 | t46*t541))*sx | ^ Warning: 't79' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - - 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_xbecke88_lr_adiabatic.F:394:95: 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_vwn.F:1276:31: - - 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_xbecke88_lr_adiabatic.F:787:108: 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_vwn.F:2091:73: - - 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_xbecke88_lr_adiabatic.F:395:41: 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_vwn.F:1276:41: - - 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_xbecke88_lr_adiabatic.F:714:98: 714 | t46*t541))*sx | ^ Warning: 't83' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2091:73: - - 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_xbecke88_lr_adiabatic.F:395:88: 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_vwn.F:1276:47: - - 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: - - 2042 | t1391 = t505*t217 - | ^ -Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1276:53: - - 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_xbecke88_lr_adiabatic.F:714:98: 714 | t46*t541))*sx @@ -23065,36 +24595,16 @@ 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_vwn.F:2045:63: - - 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:1276:59: - - 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_xbecke88_lr_adiabatic.F:1467:70: 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_vwn.F:2091:73: - - 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_xbecke88_lr_adiabatic.F:396:17: 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_vwn.F:1276:70: - - 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_xbecke88_lr_adiabatic.F:593:28: 593 | t302 = t7*t86 @@ -23105,16 +24615,6 @@ 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:2091:73: - - 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:1277:27: - - 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_xbecke88_lr_adiabatic.F:746:73: 746 | + 0.60e1_dp*t119*t637 - 0.60e1_dp*t7*t640*t126*t371 @@ -23125,16 +24625,6 @@ 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_vwn.F:2091:73: - - 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:1277:33: - - 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_xbecke88_lr_adiabatic.F:750:49: 750 | *t615 - 0.20e1_dp*t102*t646 @@ -23145,41 +24635,21 @@ 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_vwn.F:2091:73: - - 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_xbecke88_lr_adiabatic.F:561:28: 561 | t224 = t9*t16 | ^ Warning: 't9' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:39: - - 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_xbecke88_lr_adiabatic.F:397:76: 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_vwn.F:2091:73: - - 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_xbecke88_lr_adiabatic.F:597:30: 597 | t309 = t308*t92 | ^ Warning: 't92' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1277:45: - - 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_xbecke88_lr_adiabatic.F:398:24: 398 | t914, t918, t92, t922, t923, t926, t929, t93, t930, t94, t940, t941 @@ -23190,31 +24660,11 @@ 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_vwn.F:2091:73: - - 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:1277:51: - - 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_xbecke88_lr_adiabatic.F:398:53: 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_vwn.F:2091:73: - - 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:1277:63: - - 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_xbecke88_lr_adiabatic.F:1467:70: 1467 | *t371 - 0.4266666668e2_dp*t2220/t1014/t94*t1058 @@ -23225,16 +24675,6 @@ 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_vwn.F:2091:73: - - 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:1277:69: - - 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_xbecke88_lr_adiabatic.F:612:38: 612 | t341 = 0.1e1_dp/t19/t95 @@ -23245,16 +24685,6 @@ 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_vwn.F:2091:73: - - 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:1277:81: - - 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_xbecke88_lr_adiabatic.F:739:30: 739 | t627 = t97*t132 @@ -23265,976 +24695,256 @@ 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:2061:30: - - 2061 | t1516 = t540**2 - | ^ -Warning: 't540' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:13: - - 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: - - 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:1278:25: - - 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: - - 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:1278:31: - - 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: - - 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:1278:37: - - 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: - - 2060 | t1510 = t874*t547 - | ^ -Warning: 't547' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:43: - - 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:1278:60: - - 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: - - 2052 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't553' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:66: - - 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_xbecke88_lr_adiabatic.F:2419:50: 2419 | t5564 = 0.1173333333e3_dp*t5060*t98 | ^ Warning: 't98' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2052:47: - - 2052 | *t560*t1394 - t239*t1404 - | ^ -Warning: 't560' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:77: - - 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_xbecke88_lr_adiabatic.F:400:71: 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_vwn.F:2075:69: - - 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:1278:83: - - 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: - - 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_xbecke88_lr_adiabatic.F:750:49: 750 | *t615 - 0.20e1_dp*t102*t646 | ^ Warning: 't99' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1278:89: - - 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_xbecke88_lr_adiabatic.F:401:12: 401 | t99, t991, t995, t997, xx | ^ note: 't99' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - - 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:1278:95: - - 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: - - 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:1279:13: - - 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: - - 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:1279:19: - - 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_xbecke88_lr_adiabatic.F:1745:85: 1745 | + t3288) | ^ Warning: 't214' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - - 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:1279:30: - - 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_xbecke88_lr_adiabatic.F:314:48: 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 | ^ note: 't214' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - - 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:1279:36: - - 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: - - 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:1279:42: - - 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_xbecke88_lr_adiabatic.F:1745:85: 1745 | + t3288) | ^ Warning: 't217' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2075:69: - - 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:1279:48: - - 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_xbecke88_lr_adiabatic.F:315:34: 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_vwn.F:2075:69: - - 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:1279:54: - - 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: - - 2169 | t1776 = t317*t591 - | ^ -Warning: 't591' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:60: - - 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_xbecke88_lr_adiabatic.F:1551:34: 1551 | *t2565*t796 | ^ Warning: 't218' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1861:35: - - 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:1279:66: - - 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_xbecke88_lr_adiabatic.F:315:40: 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_vwn.F:2180:79: - - 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:1279:72: - - 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_xbecke88_lr_adiabatic.F:1193:32: 1193 | t1645 = beta*t219 | ^ Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2110:105: - - 2110 | t1599)*t2)*sc - | ^ -Warning: 't594' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:78: - - 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_xbecke88_lr_adiabatic.F:315:67: 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_vwn.F:2180:79: - - 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:1279:84: - - 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: - - 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:1279:90: - - 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_xbecke88_lr_adiabatic.F:1551:34: 1551 | *t2565*t796 | ^ Warning: 't220' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: - - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't597' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1279:96: - - 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_xbecke88_lr_adiabatic.F:316:18: 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:2158:80: - - 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:1280:13: - - 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_xbecke88_lr_adiabatic.F:1088:28: 1088 | t1444 | ^ Warning: 't221' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2110:105: - - 2110 | t1599)*t2)*sc - | ^ -Warning: 't599' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:19: - - 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_xbecke88_lr_adiabatic.F:316:52: 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:2180:79: - - 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:1280:34: - - 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_xbecke88_lr_adiabatic.F:888:40: 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:2123:42: - - 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:1280:40: - - 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_xbecke88_lr_adiabatic.F:316:86: 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_vwn.F:2180:79: - - 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:1280:46: - - 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: - - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't603' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:52: - - 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_xbecke88_lr_adiabatic.F:1651:31: 1651 | t2998 = t27*t225 | ^ Warning: 't225' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2158:80: - - 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:1280:58: - - 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_xbecke88_lr_adiabatic.F:316:92: 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_vwn.F:2110:105: - - 2110 | t1599)*t2)*sc - | ^ -Warning: 't605' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:64: - - 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_xbecke88_lr_adiabatic.F:1084:53: 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:2180:79: - - 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:1280:70: - - 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_xbecke88_lr_adiabatic.F:318:53: 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:1965:32: - - 1965 | t1151 = t607*t874 - | ^ -Warning: 't607' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1280:76: - - 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: - - 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:1280:93: - - 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_xbecke88_lr_adiabatic.F:1559:85: 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_vwn.F:2020:61: - - 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:1281:13: - - 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_xbecke88_lr_adiabatic.F:319:27: 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_vwn.F:2020:61: - - 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:1281:19: - - 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: - - 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_xbecke88_lr_adiabatic.F:1153:44: 1153 | t1584 = 0.320e2_dp*t1582*t234 | ^ Warning: 't234' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:25: - - 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_xbecke88_lr_adiabatic.F:319:33: 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_vwn.F:1971:32: - - 1971 | t1168 = t619*t269 - | ^ -Warning: 't619' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:31: - - 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_xbecke88_lr_adiabatic.F:1745:85: 1745 | + t3288) | ^ Warning: 't237' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1974:63: - - 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_xbecke88_lr_adiabatic.F:319:53: 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_vwn.F:1281:37: - - 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_xbecke88_lr_adiabatic.F:1328:32: 1328 | t1912 = t399*t245 | ^ Warning: 't245' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - - 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_xbecke88_lr_adiabatic.F:320:34: 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:1281:43: - - 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_xbecke88_lr_adiabatic.F:1524:40: 1524 | *t1368*t166*t2160 | ^ Warning: 't249' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - - 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:1281:49: - - 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_xbecke88_lr_adiabatic.F:320:68: 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_vwn.F:2020:61: - - 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:1281:55: - - 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: - - 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_xbecke88_lr_adiabatic.F:1128:56: 1128 | + 0.3333333334e0_dp*t55*t57*t1531 | ^ Warning: 't250' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1281:61: - - 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_xbecke88_lr_adiabatic.F:320:86: 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_vwn.F:2020:61: - - 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:1281:67: - - 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: - - 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:1281:73: - - 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_xbecke88_lr_adiabatic.F:1287:32: 1287 | t1821 = t472*t262 | ^ Warning: 't262' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2020:61: - - 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:1281:90: - - 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_xbecke88_lr_adiabatic.F:321:66: 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_vwn.F:2020:61: - - 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:1281:96: - - 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: - - 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:1282:19: - - 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: - - 1982 | t1244 = t654**2 - | ^ -Warning: 't654' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:36: - - 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_xbecke88_lr_adiabatic.F:1679:69: 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:2020:61: - - 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:1282:48: - - 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_xbecke88_lr_adiabatic.F:322:68: 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:2020:61: - - 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:1282:54: - - 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: - - 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:1282:60: - - 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: 't661' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:66: - - 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_xbecke88_lr_adiabatic.F:1711:83: 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_vwn.F:1992:47: - - 1992 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't666' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:78: - - 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_xbecke88_lr_adiabatic.F:322:74: 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_vwn.F:1992:47: - - 1992 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't667' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:84: - - 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: - - 1992 | *t674*t1171 - t291*t1181 - | ^ -Warning: 't674' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1282:90: - - 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_xbecke88_lr_adiabatic.F:1711:83: 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_vwn.F:2004:71: - - 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:1282:96: - - 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_xbecke88_lr_adiabatic.F:322:80: 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_vwn.F:2004:71: - - 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:1283:13: - - 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: - - 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:1283:24: - - 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_xbecke88_lr_adiabatic.F:1505:51: 1505 | 0.1111111112e0_dp*t1129*t271 | ^ Warning: 't271' may be used uninitialized [-Wmaybe-uninitialized] -/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:1283:30: - - 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_xbecke88_lr_adiabatic.F:323:13: 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_vwn.F:2004:71: - - 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:1283:36: - - 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: - - 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:1283:42: - - 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_xbecke88_lr_adiabatic.F:1809:33: 1809 | t3569 = t274*t1505 | ^ Warning: 't274' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: - - 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:1283:48: - - 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_xbecke88_lr_adiabatic.F:323:40: 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_vwn.F:2004:71: - - 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:1283:54: - - 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: - - 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:1283:60: - - 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_xbecke88_lr_adiabatic.F:1692:34: 1692 | *t503*t2312 | ^ Warning: 't275' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2004:71: - - 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:1283:66: - - 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_xbecke88_lr_adiabatic.F:323:46: 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_vwn.F:2150:32: - - 2150 | t1696 = t316*t704 - | ^ -Warning: 't704' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:27: - - 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: - - 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:1284:33: - - 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: - - 2194 | *t725*t371 - | ^ -Warning: 't716' may be used uninitialized [-Wmaybe-uninitialized] /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: 't278' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:63: - - 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_xbecke88_lr_adiabatic.F:323:73: 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_vwn.F:2194:33: - - 2194 | *t725*t371 - | ^ -Warning: 't719' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:69: - - 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_xbecke88_lr_adiabatic.F:1745:85: 1745 | + t3288) @@ -24250,21 +24960,11 @@ 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:2194:33: - - 2194 | *t725*t371 - | ^ -Warning: 't722' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:33: 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:1284:75: - - 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_xbecke88_lr_adiabatic.F:1580:69: 1580 | *t55*t1082 - 0.1000000001e1_dp*t165*t2631*t237 @@ -24275,16 +24975,6 @@ 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_vwn.F:2194:33: - - 2194 | *t725*t371 - | ^ -Warning: 't725' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:81: - - 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_xbecke88_lr_adiabatic.F:1737:66: 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 @@ -24295,16 +24985,6 @@ 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_vwn.F:2141:32: - - 2141 | t1671 = t728*t142 - | ^ -Warning: 't728' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1284:87: - - 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_xbecke88_lr_adiabatic.F:1737:66: 1737 | *t1068 + 0.8333333340e-1_dp*t906*t384*t2160 @@ -24315,16 +24995,6 @@ 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: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:1284:93: - - 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_xbecke88_lr_adiabatic.F:1063:29: 1063 | *t1397 @@ -24335,21 +25005,11 @@ 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: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_xbecke88_lr_adiabatic.F:1161:30: 1161 | t1597 = t7*t298 | ^ Warning: 't298' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:18: - - 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_xbecke88_lr_adiabatic.F:325:39: 325 | t2935, t2937, t294, t295, t298, t299, t2992, t2994, t2998, t302, t3026, t3030, t306, & @@ -24365,16 +25025,6 @@ 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_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:1285:24: - - 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_xbecke88_lr_adiabatic.F:1569:55: 1569 | 0.5866666667e2_dp*t962*t949*t375 @@ -24385,41 +25035,21 @@ 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_vwn.F:2124:42: - - 2124 | t1620 = 0.80e1_dp*t733*t254 - | ^ -Warning: 't733' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:863:31: 863 | t942 = t367*t306 | ^ Warning: 't306' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:30: - - 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_xbecke88_lr_adiabatic.F:325:92: 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:2228:29: - - 2228 | *t1094 - | ^ -Warning: 't735' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: 1569 | 0.5866666667e2_dp*t962*t949*t375 | ^ Warning: 't307' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:36: - - 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_xbecke88_lr_adiabatic.F:326:20: 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & @@ -24435,41 +25065,21 @@ 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_vwn.F:2165:41: - - 2165 | t1764 = 0.2e1_dp*t741*t202 - | ^ -Warning: 't741' may be used uninitialized [-Wmaybe-uninitialized] /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:1285:47: - - 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_xbecke88_lr_adiabatic.F:326:46: 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:2174:36: - - 2174 | t1782 = 0.2e1_dp*t742 - | ^ -Warning: 't742' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: 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_vwn.F:1285:53: - - 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_xbecke88_lr_adiabatic.F:326:78: 326 | t3069, t307, t3070, t308, t3085, t309, t3093, t3097, t3098, t31, t311, t3129, t313, & @@ -24485,16 +25095,6 @@ 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_vwn.F:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't743' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:59: - - 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_xbecke88_lr_adiabatic.F:1569:55: 1569 | 0.5866666667e2_dp*t962*t949*t375 @@ -24505,16 +25105,6 @@ 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:2164:41: - - 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:1285:65: - - 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_xbecke88_lr_adiabatic.F:1569:55: 1569 | 0.5866666667e2_dp*t962*t949*t375 @@ -24525,41 +25115,21 @@ 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:2115:36: - - 2115 | t1605 = 0.2e1_dp*t745 - | ^ -Warning: 't745' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1160:43: 1160 | t1596 = 0.320e2_dp*t605*t318 | ^ Warning: 't318' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1285:71: - - 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_xbecke88_lr_adiabatic.F:327:32: 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_vwn.F:2114:37: - - 2114 | t1604 = 0.80e1_dp*t746 - | ^ -Warning: 't746' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1569:55: 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:1285:77: - - 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_xbecke88_lr_adiabatic.F:327:45: 327 | t3141, t316, t317, t318, t3181, t321, t322, t3232, t3244, t3248, t326, t3262, t3264, & @@ -24570,21 +25140,11 @@ 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:2116:37: - - 2116 | t1606 = 0.80e1_dp*t748 - | ^ -Warning: 't748' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:327:51: 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:1285:83: - - 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_xbecke88_lr_adiabatic.F:868:30: 868 | t953 = t97*t326 @@ -24595,41 +25155,21 @@ 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:2223:58: - - 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_xbecke88_lr_adiabatic.F:1559:85: 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:1285:94: - - 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_xbecke88_lr_adiabatic.F:328:20: 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:2167:49: - - 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_xbecke88_lr_adiabatic.F:1569:55: 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:1286:13: - - 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_xbecke88_lr_adiabatic.F:328:33: 328 | t3268, t327, t3278, t328, t3288, t329, t3291, t3305, t3306, t3314, t332, t3329 @@ -24640,21 +25180,11 @@ 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:2233:29: - - 2233 | *t1776 - | ^ -Warning: 't752' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:328:46: 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:1286:19: - - 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_xbecke88_lr_adiabatic.F:1203:79: 1203 | t1667 = 0.28e2_dp/0.3e1_dp*t332 - 0.28e2_dp/0.3e1_dp*t987*my_rho @@ -24665,21 +25195,11 @@ 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:2112:39: - - 2112 | t1602 = 0.2400e2_dp*t753 - | ^ -Warning: 't753' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1189:49: 1189 | t1638 = 0.1200000000e3_dp*t24*t336 | ^ Warning: 't336' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:25: - - 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_xbecke88_lr_adiabatic.F:329:76: 329 | REAL(KIND=dp) :: t3339, t3344, t3347, t3352, t3353, t3356, t3357, t336, t3362, t3363, t3366, & @@ -24690,41 +25210,21 @@ 1168 | t1607 = 0.1066666667e2_dp*t339*t322 | ^ Warning: 't339' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2209:64: - - 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_xbecke88_lr_adiabatic.F:330:34: 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_vwn.F:1286:31: - - 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_xbecke88_lr_adiabatic.F:1726:80: 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_vwn.F:2159:52: - - 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_xbecke88_lr_adiabatic.F:330:40: 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_vwn.F:1286:37: - - 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_xbecke88_lr_adiabatic.F:1842:54: 1842 | + 0.3200000000e2_dp*t1055*t3674 @@ -24735,16 +25235,6 @@ 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_vwn.F:2209:64: - - 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:1286:43: - - 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_xbecke88_lr_adiabatic.F:1194:51: 1194 | t1647 = 0.5600000000e2_dp*t1645*t343 @@ -24755,21 +25245,11 @@ 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:2223:58: - - 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_xbecke88_lr_adiabatic.F:1195:51: 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:1286:49: - - 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_xbecke88_lr_adiabatic.F:330:72: 330 | t3378, t3379, t3382, t339, t341, t342, t343, t3449, t3453, t347, t3472, t3491, t3494, & @@ -24780,21 +25260,11 @@ 1551 | *t2565*t796 | ^ Warning: 't350' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2117:38: - - 2117 | t1609 = 0.160e2_dp*t759 - | ^ -Warning: 't759' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:331:25: 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:1286:55: - - 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_xbecke88_lr_adiabatic.F:1198:51: 1198 | t1656 = 0.8000000000e1_dp*t1429*t352 @@ -24810,16 +25280,6 @@ 906 | t1002*my_rho | ^ Warning: 't356' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't762' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1286:61: - - 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_xbecke88_lr_adiabatic.F:332:41: 332 | t3546, t3547, t3552, t3553, t356, t3561, t3569, t357, t3575, t3576, t3580, t3581, t36, & @@ -24830,21 +25290,11 @@ 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:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't764' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:332:61: 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:1286:73: - - 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_xbecke88_lr_adiabatic.F:1551:34: 1551 | *t2565*t796 @@ -24855,16 +25305,6 @@ 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_vwn.F:2113:36: - - 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:1286:79: - - 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_xbecke88_lr_adiabatic.F:1202:42: 1202 | t1664 = 0.60e1_dp*t550*t362 @@ -24880,211 +25320,61 @@ 1551 | *t2565*t796 | ^ Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2121:37: - - 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:1286:85: - - 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_xbecke88_lr_adiabatic.F:333:39: 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:2177:37: - - 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:1286:91: - - 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: - - 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:1287:13: - - 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_xbecke88_lr_adiabatic.F:1551:34: 1551 | *t2565*t796 | ^ Warning: 't366' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2223:58: - - 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:1287:19: - - 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_xbecke88_lr_adiabatic.F:333:45: 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:2223:58: - - 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:1287:25: - - 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_xbecke88_lr_adiabatic.F:863:31: 863 | t942 = t367*t306 | ^ Warning: 't367' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2176:39: - - 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:1287:31: - - 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_xbecke88_lr_adiabatic.F:333:58: 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:2233:29: - - 2233 | *t1776 - | ^ -Warning: 't777' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:37: - - 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: - - 2233 | *t1776 - | ^ -Warning: 't778' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1551:34: 1551 | *t2565*t796 | ^ Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:43: - - 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: - - 2233 | *t1776 - | ^ -Warning: 't779' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:333:92: 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_vwn.F:1287:49: - - 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: - - 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:1287:55: - - 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_xbecke88_lr_adiabatic.F:1551:34: 1551 | *t2565*t796 | ^ Warning: 't371' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't782' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:61: - - 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_xbecke88_lr_adiabatic.F:334:25: 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:2197:32: - - 2197 | t1836 = t732*t783 - | ^ -Warning: 't783' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:67: - - 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_xbecke88_lr_adiabatic.F:1201:48: 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:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't784' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:73: - - 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_xbecke88_lr_adiabatic.F:334:38: 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:2241:32: - - 2241 | t1979 = t789*t309 - | ^ -Warning: 't789' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1287:85: - - 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: - - 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:1287:91: - - 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_xbecke88_lr_adiabatic.F:1569:55: 1569 | 0.5866666667e2_dp*t962*t949*t375 @@ -25095,21 +25385,11 @@ 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:2246:34: - - 2246 | *t136*t1986 - | ^ -Warning: 't796' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1184:42: 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:1287:97: - - 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_xbecke88_lr_adiabatic.F:334:64: 334 | t3682, t37, t371, t3711, t372, t3726, t375, t3750, t376, t3763, t379, t3794, t3796, t380, & @@ -25120,301 +25400,81 @@ 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:2246:34: - - 2246 | *t136*t1986 - | ^ -Warning: 't799' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:13: - - 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_xbecke88_lr_adiabatic.F:334:77: 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:2204:32: - - 2204 | t1858 = t802*t142 - | ^ -Warning: 't802' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:28: - - 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: - - 2215 | t1893 = t803*t305 - | ^ -Warning: 't803' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1063:29: 1063 | *t1397 | ^ Warning: 't380' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:34: - - 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: - - 2210 | t1870 = t804*t254 - | ^ -Warning: 't804' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:334:97: 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_vwn.F:1288:40: - - 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: - - 2202 | t1850 = t806*t254 - | ^ -Warning: 't806' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:46: - - 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: - - 2214 | t1891 = t808*t254 - | ^ -Warning: 't808' may be used uninitialized [-Wmaybe-uninitialized] /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:1288:52: - - 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: - - 2198 | t1838 = t811*t202 - | ^ -Warning: 't811' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:335:27: 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:1288:58: - - 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: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't812' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:64: - - 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: - - 2120 | + t842 - t1609 - | ^ -Warning: 't813' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:70: - - 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_xbecke88_lr_adiabatic.F:1737:66: 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:2196:32: - - 2196 | t1832 = t814*t254 - | ^ -Warning: 't814' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:76: - - 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_xbecke88_lr_adiabatic.F:335:33: 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:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't815' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:82: - - 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_xbecke88_lr_adiabatic.F:1063:29: 1063 | *t1397 | ^ Warning: 't387' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't816' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:88: - - 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_xbecke88_lr_adiabatic.F:336:27: 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_vwn.F:2236:50: - - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't817' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1288:94: - - 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: - - 2120 | + t842 - t1609 - | ^ -Warning: 't818' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:13: - - 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_xbecke88_lr_adiabatic.F:1647:57: 1647 | - 0.5000000001e0_dp*t429*t437*t914 | ^ Warning: 't392' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't819' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:19: - - 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_xbecke88_lr_adiabatic.F:336:61: 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_vwn.F:2236:50: - - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't820' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:25: - - 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: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't821' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:31: - - 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_xbecke88_lr_adiabatic.F:1610:40: 1610 | *t2763*t446*t2779 | ^ Warning: 't393' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2236:50: - - 2236 | - t820 + t486 + t603 - t822 - | ^ -Warning: 't822' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:37: - - 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_xbecke88_lr_adiabatic.F:336:74: 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:2120:37: - - 2120 | + t842 - t1609 - | ^ -Warning: 't823' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:43: - - 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: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't824' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:49: - - 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_xbecke88_lr_adiabatic.F:1595:104: 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:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't825' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:55: - - 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_xbecke88_lr_adiabatic.F:336:94: 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:2186:60: - - 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:1289:61: - - 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_xbecke88_lr_adiabatic.F:1036:33: 1036 | t1367 = omega*t398 @@ -25425,36 +25485,16 @@ 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_vwn.F:2120:37: - - 2120 | + t842 - t1609 - | ^ -Warning: 't827' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:67: - - 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_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:2264:80: - - 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_xbecke88_lr_adiabatic.F:337:61: 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:1289:73: - - 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_xbecke88_lr_adiabatic.F:1524:40: 1524 | *t1368*t166*t2160 @@ -25465,36 +25505,16 @@ 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_vwn.F:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't829' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:79: - - 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_xbecke88_lr_adiabatic.F:1622:39: 1622 | *t400*t401*t2230 | ^ Warning: 't401' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:2186:60: - - 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_xbecke88_lr_adiabatic.F:337:82: 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_vwn.F:1289:85: - - 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_xbecke88_lr_adiabatic.F:1524:40: 1524 | *t1368*t166*t2160 @@ -25505,26 +25525,6 @@ 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_vwn.F:2120:37: - - 2120 | + t842 - t1609 - | ^ -Warning: 't831' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1289:91: - - 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: - - 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:1289:97: - - 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_xbecke88_lr_adiabatic.F:1634:65: 1634 | *t2869 - 0.6000000000e1_dp*t405*t2873*t237 @@ -25535,26 +25535,6 @@ 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_vwn.F:2270:111: - - 2270 | t2048)*t2)*sc - | ^ -Warning: 't833' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_vwn.F:1290:13: - - 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: - - 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:1290:19: - - 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_xbecke88_lr_adiabatic.F:1726:80: 1726 | *t1368*t437*t907 - 0.3125000000e0_dp*t3262*t45*t166*t3264 @@ -25595,166 +25575,1136 @@ 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_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:1035:72: + + 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:1035:77: + + 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:1036:70: + + 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:1037:79: + + 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:1040:44: + + 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:1040:61: + + 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:1040:90: + + 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:1041:29: + + 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:1041:46: + + 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:1042:32: + + 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:1042:61: + + 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:1042:96: + + 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:1044:12: + + 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:1044:41: + + 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:1044:57: + + 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:1044:62: + + 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:1044:73: + + 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:1046:18: + + 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:1046:35: + + 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:1046:52: + + 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:1046:75: + + 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:1046:92: + + 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:1047:42: + + 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:1047:71: + + 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:1047:88: + + 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:1048:12: + + 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:1048:41: + + 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:1049:38: + + 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:1049:90: + + 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:1050:17: + + 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:1050:46: + + 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:1050:69: + + 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:1051:48: + + 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:1052:30: + + 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:1052:40: + + 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:1052:45: + + 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_lr_adiabatic.F:1635:33: 1635 | t2885 = t428*t1372 | ^ Warning: 't428' may be used uninitialized [-Wmaybe-uninitialized] +/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:1053:68: + + 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_lr_adiabatic.F:339:74: 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_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:1054:61: + + 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:1036:26: + + 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:1036:32: + + 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:1036:45: + + 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_lr_adiabatic.F:1737:66: 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_long_range.F:1036:58: + + 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_lr_adiabatic.F:339:80: 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_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:1036:83: + + 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:1036:89: + + 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:1037:41: + + 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_lr_adiabatic.F:1647:57: 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_long_range.F:1037:61: + + 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_lr_adiabatic.F:340:20: 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_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:1037:74: + + 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:1037:85: + + 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:1038:13: + + 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_lr_adiabatic.F:1726:80: 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_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:1038:19: + + 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_lr_adiabatic.F:340:40: 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_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:1038:25: + + 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:1038:38: + + 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:1038:44: + + 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_lr_adiabatic.F:1598:33: 1598 | t2763 = t1367*t444 | ^ Warning: 't444' may be used uninitialized [-Wmaybe-uninitialized] +/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:1038:50: + + 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_lr_adiabatic.F:340:72: 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & | ^ note: 't444' 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:1038:77: + + 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:1038:83: + + 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:1038:89: + + 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_lr_adiabatic.F:1647:57: 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_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:1039:20: + + 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_lr_adiabatic.F:340:78: 340 | t4317, t433, t4345, t4352, t437, t4378, t4392, t44, t4428, t444, t445, t446, t4466, & | ^ note: 't445' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1039:47: + + 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:1039:60: + + 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:1039:80: + + 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_lr_adiabatic.F:1610:40: 1610 | *t2763*t446*t2779 | ^ Warning: 't446' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1039:93: + + 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_lr_adiabatic.F:340:84: 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_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:1040:20: + + 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:1040:26: + + 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:1040:32: + + 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_lr_adiabatic.F:1053:28: 1053 | *t237 | ^ Warning: 't450' may be used uninitialized [-Wmaybe-uninitialized] +/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:1040:50: + + 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_lr_adiabatic.F:341:25: 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_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:1040:56: + + 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:1040:67: + + 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:1040:73: + + 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_lr_adiabatic.F:1711:83: 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_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:1040:85: + + 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_lr_adiabatic.F:341:38: 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_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:1040:96: + + 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:1041:13: + + 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_lr_adiabatic.F:1053:28: 1053 | *t237 | ^ Warning: 't455' may be used uninitialized [-Wmaybe-uninitialized] +/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:1041:19: + + 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_lr_adiabatic.F:341:58: 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_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:1041:25: + + 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:1041:35: + + 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:1053:12: + + 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_lr_adiabatic.F:1610:40: 1610 | *t2763*t446*t2779 | ^ Warning: 't462' may be used uninitialized [-Wmaybe-uninitialized] +/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:1053:53: + + 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_lr_adiabatic.F:341:97: 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_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:1053:64: + + 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:1053:73: + + 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:1053:84: + + 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_lr_adiabatic.F:1595:104: 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_long_range.F:1054:24: + + 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_lr_adiabatic.F:342:27: 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_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:1054:29: + + 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:1054:40: + + 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_lr_adiabatic.F:1018:40: 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_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:1054:45: + + 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_lr_adiabatic.F:342:45: 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_long_range.F:1209:38: + + 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:1054:72: + + 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: + + 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:1054:89: + + 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: + + 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:1055:12: + + 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_lr_adiabatic.F:1427:30: 1427 | t2117 = t471*pi | ^ Warning: 't471' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1271:55: + + 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:1055:29: + + 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_lr_adiabatic.F:343:34: 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_long_range.F:1266:30: + + 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:1055:40: + + 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: + + 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:1055:45: + + 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: + + 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_lr_adiabatic.F:1287:32: 1287 | t1821 = t472*t262 | ^ Warning: 't472' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1055:56: + + 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_lr_adiabatic.F:343:61: 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_long_range.F:1259:104: + + 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:1055:61: + + 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: + + 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:1055:72: + + 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: + + 1551 | t98*t1400 + | ^ +Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:41: + + 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_lr_adiabatic.F:1668:76: 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_long_range.F:1492:76: + + 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:1041:52: + + 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_lr_adiabatic.F:343:95: 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_long_range.F:1492:76: + + 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:1041:58: + + 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: + + 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:1041:64: + + 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_lr_adiabatic.F:1659:33: 1659 | t1176*t804 @@ -25765,16 +26715,76 @@ 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_long_range.F:1425:67: + + 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:1041:70: + + 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: + + 1380 | /t69*t669) + | ^ +Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:27: + + 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: + + 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:1042:38: + + 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_lr_adiabatic.F:1668:76: 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_long_range.F:1440:55: + + 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:1042:44: + + 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_lr_adiabatic.F:345:48: 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_long_range.F:1507:77: + + 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:1042:50: + + 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: + + 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:1042:56: + + 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_lr_adiabatic.F:1659:33: 1659 | t1176*t804 @@ -25785,86 +26795,321 @@ 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_long_range.F:1560:99: + + 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:1042:67: + + 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: + + 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:1042:79: + + 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: + + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't233' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1668:76: 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_long_range.F:1042:85: + + 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_lr_adiabatic.F:348:41: 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_long_range.F:1440:55: + + 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:1042:91: + + 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: + + 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:1043:13: + + 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: + + 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:1043:19: + + 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_lr_adiabatic.F:1711:83: 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_long_range.F:1507:77: + + 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_lr_adiabatic.F:351:34: 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_long_range.F:1043:25: + + 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: + + 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:1043:31: + + 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: + + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't251' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1679:69: 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_long_range.F:1043:37: + + 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_lr_adiabatic.F:351:40: 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_long_range.F:1440:55: + + 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:1043:43: + + 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: + + 1440 | *t244*ndrho/t657/t7*t669) + | ^ +Warning: 't255' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:941:31: 941 | t1106 = t500*t67 | ^ Warning: 't500' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1043:49: + + 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_lr_adiabatic.F:351:65: 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_long_range.F:1492:76: + + 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:1043:55: + + 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: + + 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:1043:61: + + 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_lr_adiabatic.F:1701:64: 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_long_range.F:1454:57: + + 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:1043:72: + + 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_lr_adiabatic.F:352:76: 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_long_range.F:1454:57: + + 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:1043:78: + + 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: + + 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:1043:89: + + 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_lr_adiabatic.F:1711:83: 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_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't271' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:353:83: 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_long_range.F:1043:95: + + 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: + + 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:1044:18: + + 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_lr_adiabatic.F:985:32: 985 | t1213 = t511*t225 | ^ Warning: 't511' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: + + 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:1044:24: + + 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_lr_adiabatic.F:354:27: 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_long_range.F:1454:57: + + 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:1044:30: + + 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: + + 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:1044:36: + + 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_lr_adiabatic.F:1692:34: 1692 | *t503*t2312 | ^ Warning: 't512' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: + + 1542 | *t36*t38*t1396 + | ^ +Warning: 't293' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:354:47: 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_long_range.F:1044:47: + + 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: + + 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:1044:53: + + 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: + + 1483 | + t1136) + | ^ +Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1711:83: 1711 | 0.1666666668e0_dp*t508*t1207 - 0.3333333336e0_dp*t1137*t1134 @@ -25905,6 +27150,21 @@ 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_long_range.F:1044:68: + + 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: + + 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:1044:85: + + 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_lr_adiabatic.F:1701:64: 1701 | *t2622*t71 - 0.1666666668e0_dp*t1106*t886 @@ -25915,176 +27175,746 @@ 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_long_range.F:1542:37: + + 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:1044:91: + + 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: + + 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:1044:97: + + 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: + + 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:1045:13: + + 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + | ^ +note: 't319' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1692:34: 1692 | *t503*t2312 | ^ Warning: 't527' may be used uninitialized [-Wmaybe-uninitialized] +/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:1045:19: + + 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_lr_adiabatic.F:356:33: 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_long_range.F:1461:38: + + 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:1045:25: + + 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: + + 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:1045:31: + + 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: + + 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:1045:37: + + 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_lr_adiabatic.F:1692:34: 1692 | *t503*t2312 | ^ Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: + + 1475 | t41*t328*t466 + | ^ +Warning: 't328' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:357:60: 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_long_range.F:1045:43: + + 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: + + 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:1045:49: + + 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: + + 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:1045:55: + + 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_lr_adiabatic.F:1692:34: 1692 | *t503*t2312 | ^ Warning: 't531' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: + + 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:1045:61: + + 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_lr_adiabatic.F:357:94: 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_long_range.F:1475:36: + + 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:1045:72: + + 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: + + 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:1045:78: + + 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: + + 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:1045:84: + + 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_lr_adiabatic.F:1679:69: 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_long_range.F:1475:36: + + 1475 | t41*t328*t466 + | ^ +Warning: 't351' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:358:97: 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_long_range.F:1045:90: + + 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: + + 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:1045:96: + + 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:1046:13: + + 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_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_long_range.F:1584:49: + + 1584 | *sx + | ^ +Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:24: + + 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_lr_adiabatic.F:359:83: 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_long_range.F:1551:32: + + 1551 | t98*t1400 + | ^ +Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:30: + + 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: + + 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:1046:41: + + 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_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_long_range.F:1507:77: + + 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:1046:47: + + 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_lr_adiabatic.F:360:90: 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_long_range.F:1440:55: + + 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:1046:58: + + 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: + + 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:1046:64: + + 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_lr_adiabatic.F:1202:42: 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_long_range.F:1507:77: + + 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:1046:70: + + 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_lr_adiabatic.F:364:32: 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_long_range.F:1560:99: + + 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:1046:81: + + 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: + + 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:1046:87: + + 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_lr_adiabatic.F:1185:32: 1185 | t1631 = t375*t557 | ^ Warning: 't557' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: + + 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:1047:13: + + 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_lr_adiabatic.F:366:41: 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_long_range.F:1507:77: + + 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:1047:19: + + 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: + + 1551 | t98*t1400 + | ^ +Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:25: + + 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: + + 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:1047:31: + + 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_lr_adiabatic.F:2260:34: 2260 | *t105*t5118 | ^ Warning: 't558' may be used uninitialized [-Wmaybe-uninitialized] +/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: 't408' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:37: + + 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_lr_adiabatic.F:366:75: 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_long_range.F:1542:37: + + 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:1047:54: + + 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: + + 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:1047:60: + + 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: + + 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:1047:66: + + 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_lr_adiabatic.F:1357:32: 1357 | t1973 = t561*t149 | ^ Warning: 't561' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: + + 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_lr_adiabatic.F:367:67: 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_long_range.F:1047:77: + + 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: + + 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:1047:83: + + 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_lr_adiabatic.F:1396:80: 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_long_range.F:1578:74: + + 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:1047:94: + + 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: + + 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_lr_adiabatic.F:369:54: 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_long_range.F:1048:18: + + 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: + + 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:1048:24: + + 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: + + 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:1048:30: + + 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_lr_adiabatic.F:1396:80: 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_long_range.F:1454:57: + + 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_lr_adiabatic.F:370:27: 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_long_range.F:1048:36: + + 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: + + 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:1048:47: + + 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_lr_adiabatic.F:1415:39: 1415 | t2081*t575*t2082 | ^ Warning: 't575' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: + + 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:1048:53: + + 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_lr_adiabatic.F:372:34: 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_long_range.F:1475:36: + + 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:1048:59: + + 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: + + 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:1048:65: + + 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: + + 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_lr_adiabatic.F:1272:32: 1272 | t1785 = t579*t515 | ^ Warning: 't579' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1048:71: + + 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_lr_adiabatic.F:373:27: 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_long_range.F:1578:74: + + 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:1049:27: + + 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: + + 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:1049:33: + + 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_lr_adiabatic.F:1351:34: 1351 | t1962 = t585*my_rho | ^ Warning: 't585' may be used uninitialized [-Wmaybe-uninitialized] +/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: 't470' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:44: + + 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_lr_adiabatic.F:374:97: 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_long_range.F:1526:63: + + 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_xbecke88_long_range.F:1049:50: + + 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_xbecke88_long_range.F:1468:68: + + 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_xbecke88_long_range.F:1049:56: + + 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_xbecke88_lr_adiabatic.F:1074:59: 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_long_range.F:1526:63: + + 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:1049:62: + + 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_lr_adiabatic.F:375:97: 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_long_range.F:1526:63: + + 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:1049:73: + + 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_xbecke88_long_range.F:1049:79: + + 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_xbecke88_lr_adiabatic.F:1069:50: 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_long_range.F:1526:63: + + 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_lr_adiabatic.F:376:32: 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_long_range.F:1049:85: + + 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: + + 1483 | + t1136) + | ^ +Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:96: + + 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: + + 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:1050:13: + + 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_lr_adiabatic.F:1364:56: 1364 | t1987 = 0.8333333335e-1_dp*t429*t437*t593 @@ -26095,86 +27925,356 @@ 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_long_range.F:1584:49: + + 1584 | *sx + | ^ +Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:23: + + 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_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_xbecke88_long_range.F:1050:29: + + 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_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_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_xbecke88_long_range.F:1050:35: + + 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_xbecke88_lr_adiabatic.F:378:76: 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_long_range.F:1560:99: + + 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:1050:41: + + 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: + + 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_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_long_range.F:1050:52: + + 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_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_xbecke88_lr_adiabatic.F:379:27: 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_xbecke88_long_range.F:1050:58: + + 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_xbecke88_long_range.F:1050:64: + + 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_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_xbecke88_long_range.F:1560:99: + + 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:1050:75: + + 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_lr_adiabatic.F:381:34: 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_long_range.F:1560:99: + + 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:1050:81: + + 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_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_xbecke88_long_range.F:1050:87: + + 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_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_xbecke88_lr_adiabatic.F:382:27: 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_long_range.F:1050:93: + + 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_xbecke88_long_range.F:1051:13: + + 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_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_xbecke88_long_range.F:1051:31: + + 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_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_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_xbecke88_long_range.F:1051:37: + + 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_lr_adiabatic.F:382:40: 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_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_xbecke88_long_range.F:1051:43: + + 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_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_xbecke88_long_range.F:1051:54: + + 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_lr_adiabatic.F:1169:32: 1169 | t1608 = t953*t614 | ^ Warning: 't614' may be used uninitialized [-Wmaybe-uninitialized] +/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_xbecke88_long_range.F:1051:60: + + 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: + + 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_lr_adiabatic.F:383:76: 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_long_range.F:1051:66: + + 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: + + 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:1051:72: + + 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: + + 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:1051:78: + + 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_lr_adiabatic.F:2260:34: 2260 | *t105*t5118 | ^ Warning: 't615' may be used uninitialized [-Wmaybe-uninitialized] +/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:1051:84: + + 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_lr_adiabatic.F:383:96: 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_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:1051:90: + + 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:1051:96: + + 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_lr_adiabatic.F:1188:50: 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_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:1052:13: + + 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:1052:19: + + 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_lr_adiabatic.F:386:41: 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_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:1052:25: + + 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:1052:36: + + 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_xbecke88_lr_adiabatic.F:2386:51: 2386 | t5480 = 0.1760000000e3_dp*t5060*t627 @@ -27705,6 +29805,8 @@ 291 | t1563, t1564, t1565, t1568, t1570, t1571, t1574, t1575, t1577, t1579, t1581, t1582, & | ^ note: 't1571' 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_xbecke88_lr_adiabatic.F:2088:42: 2088 | *t83*t45*t3581*t140 @@ -28035,7 +30137,6 @@ 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & | ^ note: 't1688' 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="\"Fri May 15 10:04:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1880:71: 1880 | *t1694*t804 + 0.1666666668e0_dp*t1546*t897*t3314 @@ -28046,7 +30147,6 @@ 297 | t1675, t1677, t1679, t1680, t1681, t1684, t1685, t1688, t1689, t1693, t1694, t1696, & | ^ note: 't1689' 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="\"Fri May 15 10:04:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_xbecke88_lr_adiabatic.F:2329:55: 2329 | t5338 = 0.6666666672e0_dp*t55*t1694*t561 @@ -28197,26 +30297,106 @@ 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 | ^ note: 't1741' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:499:93: + + 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:104:68: + + 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: + + 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/xc/xc_xbecke88_lr_adiabatic.F:2011:66: 2011 | *t722*t1722 - 0.5555555558e-1_dp*t719*t1235 | ^ Warning: 't1745' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:104:76: + + 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/xc/xc_xbecke88_lr_adiabatic.F:300:42: 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 | ^ note: 't1745' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:477:96: + + 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:104:86: + + 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: + + 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:104:96: + + 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: + + 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:104:51: + + 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: + + 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:104:60: + + 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/xc/xc_xbecke88_lr_adiabatic.F:2598:72: 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/fist_nonbond_force.F:382:28: + + 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:98:50: + + 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: + + 388 | ELSE IF (shell_b == 0) THEN + | ^ +Warning: 'shell_b' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:300:49: 300 | t1737, t1740, t1741, t1743, t1745, t1748, t1752, t1754, t1755, t1757 | ^ note: 't1748' was declared here +/build/reproducible-path/cp2k-2025.1/src/fist_nonbond_force.F:98:59: + + 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/src/xc/xc_xbecke88_lr_adiabatic.F:2003:64: 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 @@ -28707,7 +30887,6 @@ 311 | t2002, t2006, t2009, t2013, t2014, t2018, t2022, t2027, t2028, t203, t2031, t2032, t2035, & | ^ note: 't2028' 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="\"Fri May 15 10:04:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/xc/xc_xbecke88_lr_adiabatic.F:2744:46: 2744 | *t27*t6291*t172 - t5397 @@ -28758,7 +30937,6 @@ 312 | t2042, t2046, t2050, t2054, t2057, t2058, t2061, t207, t2073, t2074, t2077, t2081, t2082, & | ^ note: 't2046' 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="\"Fri May 15 10:04:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/xc/xc_xbecke88_lr_adiabatic.F:2826:132: 2826 | + t6442 + t6451 + t6461 + t6479 + t6490 + t6499 + t6658) @@ -28889,1042 +31067,6 @@ 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: - - 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:313:49: - - 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: - - 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:313:63: - - 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: - - 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:313:70: - - 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: - - 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:313:77: - - 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: - - 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:313:84: - - 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: - - 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:313:91: - - 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: - - 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:314:14: - - 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: - - 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:314:28: - - 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: - - 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:314:42: - - 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: - - 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:314:62: - - 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: - - 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:315:47: - - 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: - - 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:316:59: - - 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: - - 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:319:86: - - 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: - - 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:320:48: - - 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: - - 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:320:55: - - 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: - - 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:320:62: - - 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: - - 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:320:75: - - 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: - - 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:320:93: - - 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: - - 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:321:14: - - 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: - - 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:321:21: - - 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: - - 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:321:42: - - 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: - - 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:321:60: - - 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: - - 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:322:28: - - 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: - - 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:322:42: - - 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: - - 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:322:92: - - 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: - - 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:323:20: - - 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: - - 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:323:60: - - 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: - - 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:323:87: - - 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: - - 2710 | t5011 + t5001 - | ^ -Warning: 't2821' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:20: - - 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: - - 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:324:27: - - 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: - - 1924 | t1320*t1483 - | ^ -Warning: 't2873' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:68: - - 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: - - 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:324:82: - - 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: - - 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:325:21: - - 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: - - 2779 | *t6271 - | ^ -Warning: 't2992' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:52: - - 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: - - 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:325:59: - - 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: - - 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:325:66: - - 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: - - 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:325:86: - - 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: - - 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:326:60: - - 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: - - 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:327:65: - - 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: - - 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:327:72: - - 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: - - 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:327:85: - - 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: - - 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:328:27: - - 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: - - 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:328:53: - - 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: - - 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:393:89: - - 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: - - 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:393:95: - - 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: - - 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:394:13: - - 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: - - 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:394:19: - - 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: - - 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:394:31: - - 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: - - 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:394:37: - - 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: - - 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:394:43: - - 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/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - - 1832 | *t3339 - | ^ -Warning: 't773' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:49: - - 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: - - 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:394:61: - - 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: - - 1765 | t12*t1058 - | ^ -Warning: 't782' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:72: - - 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: - - 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:394:84: - - 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: - - 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:394:90: - - 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: - - 1765 | t12*t1058 - | ^ -Warning: 't797' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:37: - - 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: - - 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:395:47: - - 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: - - 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:395:53: - - 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: - - 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:395:59: - - 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: - - 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:395:65: - - 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: - - 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:395:71: - - 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: - - 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:395:83: - - 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: - - 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:395:94: - - 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: - - 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:396:29: - - 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: - - 1976 | *t3382 - | ^ -Warning: 't859' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:47: - - 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: - - 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:396:64: - - 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: - - 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:396:70: - - 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: - - 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:396:76: - - 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: - - 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:396:82: - - 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: - - 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:397:13: - - 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: - - 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:397:25: - - 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: - - 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:397:42: - - 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: - - 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:397:48: - - 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: - - 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:397:60: - - 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: - - 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:397:72: - - 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: - - 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:397:88: - - 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: - - 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:397:94: - - 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: - - 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:398:13: - - 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: - - 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:398:19: - - 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: - - 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:398:30: - - 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: - - 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:398:48: - - 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: - - 1866 | *t339*t969 - | ^ -Warning: 't930' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:59: - - 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: - - 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:398:70: - - 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: - - 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:398:76: - - 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: - - 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:399:39: - - 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: - - 1866 | *t339*t969 - | ^ -Warning: 't949' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:45: - - 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: - - 1866 | *t339*t969 - | ^ -Warning: 't950' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:56: - - 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: - - 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_xbecke88_lr_adiabatic.F:399:62: - - 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: - - 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:399:74: - - 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: - - 1832 | *t3339 - | ^ -Warning: 't959' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:86: - - 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: - - 1866 | *t339*t969 - | ^ -Warning: 't962' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:92: - - 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: - - 1832 | *t3339 - | ^ -Warning: 't963' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:13: - - 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_xbecke88_lr_adiabatic.F:1872:70: - - 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:400:19: - - 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_xbecke88_lr_adiabatic.F:1866:33: - - 1866 | *t339*t969 - | ^ -Warning: 't969' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:25: - - 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & - | ^ -note: 't969' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - - 1866 | *t339*t969 - | ^ -Warning: 't973' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:42: - - 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: - - 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:400:48: - - 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: - - 1866 | *t339*t969 - | ^ -Warning: 't976' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:60: - - 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: - - 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:400:77: - - 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:400:89: - - 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:400:95: - - 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:401:18: - - 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:401:24: - - 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:401:30: - - 401 | t99, t991, t995, t997, xx - | ^ -note: 't997' 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/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 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:565:24: 565 | t240 = t1*ndrho @@ -30265,6 +31407,11 @@ 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_xbecke88_lr_adiabatic.F:2801:60: + + 2801 | t6260 + 0.8999999998e1_dp*t5229*t2104 + | ^ +Warning: 't2104' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:620:24: 620 | t343 = t120*t24 @@ -30380,6 +31527,11 @@ 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_xbecke88_lr_adiabatic.F:313:49: + + 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_xwpbe.F:386:69: 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & @@ -30510,6 +31662,11 @@ 562 | *t68*t233) | ^ Warning: 't68' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: + + 2811 | *t60*t2124*t709 - t6044 + | ^ +Warning: 't2113' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:393:68: 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & @@ -30530,6 +31687,11 @@ 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:313:63: + + 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_xwpbe.F:393:88: 393 | t63, t632, t647, t65, t655, t657, t66, t663, t67, t678, t68, t685, t69, t7, t70, t707, & @@ -30615,6 +31777,11 @@ 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_xbecke88_lr_adiabatic.F:2791:82: + + 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_xwpbe.F:685:49: 685 | *t435 + 3._dp*t105*t93*t435) @@ -30630,6 +31797,11 @@ 650 | t400 = t188*t84 | ^ Warning: 't84' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:70: + + 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_xwpbe.F:395:54: 395 | t79, t791, t8, t80, t81, t819, t824, t83, t84, t854, t856, t857, t86, t867, t872, t875, & @@ -30715,6 +31887,11 @@ 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:2795:41: + + 2795 | *t5228*t2117*t2028 + | ^ +Warning: 't2117' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:669:59: 669 | *t142*t384 + t145*(t387 + t412*t418))*Clda @@ -30730,6 +31907,11 @@ 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't158' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:77: + + 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_xwpbe.F:376:66: 376 | REAL(KIND=dp) :: t150, t1510, t152, t1547, t156, t1561, t158, t159, t16, t160, t163, t164, & @@ -30815,6 +31997,11 @@ 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_xbecke88_lr_adiabatic.F:2791:82: + + 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_xwpbe.F:726:70: 726 | *t550) @@ -30860,6 +32047,11 @@ 856 | + (t412)*t414*t416*(t287)) | ^ Warning: 't183' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:84: + + 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_xwpbe.F:377:78: 377 | t165, t166, t169, t170, t172, t173, t174, t175, t176, t18, t180, t183, t184, t185, t187, & @@ -30940,6 +32132,11 @@ 737 | t12*t61) | ^ Warning: 't193' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2811:46: + + 2811 | *t60*t2124*t709 - t6044 + | ^ +Warning: 't2124' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:378:42: 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & @@ -30970,6 +32167,11 @@ 737 | t12*t61) | ^ Warning: 't201' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:313:91: + + 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_xwpbe.F:378:69: 378 | t188, t19, t190, t191, t192, t193, t199, t2, t20, t200, t201, t202, t203, t207, t209, & @@ -31095,6 +32297,11 @@ 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_xbecke88_lr_adiabatic.F:2791:82: + + 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_xwpbe.F:763:65: 763 | (2._dp*t191*t165*t262) - (4._dp*t266*t233) @@ -31130,6 +32337,11 @@ 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_xbecke88_lr_adiabatic.F:314:14: + + 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 + | ^ +note: 't2126' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:379:95: 379 | t21, t215, t218, t219, t22, t220, t222, t223, t224, t225, t227, t228, t231, t233, t236, & @@ -31250,6 +32462,11 @@ 756 | (48._dp*t258*t215) | ^ Warning: 't258' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2754:90: + + 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_xwpbe.F:380:89: 380 | t237, t24, t240, t241, t242, t245, t246, t247, t249, t25, t250, t253, t254, t258, t26, & @@ -31270,6 +32487,11 @@ 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_xbecke88_lr_adiabatic.F:314:28: + + 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 + | ^ +note: 't2131' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:381:19: 381 | t261, t262, t263, t265, t266, t269, t272, t274, t275, t278, t28, t281, t282, t284, t285, & @@ -31375,6 +32597,11 @@ 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_xbecke88_lr_adiabatic.F:2739:79: + + 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_xwpbe.F:869:34: 869 | - t147*t148*t1114 @@ -31405,6 +32632,11 @@ 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_xbecke88_lr_adiabatic.F:314:42: + + 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 + | ^ +note: 't2139' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:904:33: 904 | *t148*t404*t1117 @@ -31465,6 +32697,11 @@ 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_xbecke88_lr_adiabatic.F:2102:56: + + 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_xwpbe.F:873:93: 873 | t432 - t440*t284 + 2._dp*t86*t1110 - t86*t1114) @@ -31480,6 +32717,11 @@ 892 | *t71*t678)/0.2e1_dp) | ^ Warning: 't303' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:314:62: + + 314 | t2126, t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160 + | ^ +note: 't2147' was declared here /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:382:70: 382 | t287, t288, t29, t290, t291, t294, t297, t3, t300, t301, t303 @@ -31535,6 +32777,11 @@ 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_xbecke88_lr_adiabatic.F:2253:66: + + 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_xwpbe.F:789:24: 789 | t854 = t323*t83 @@ -31555,6 +32802,11 @@ 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_xbecke88_lr_adiabatic.F:315:47: + + 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_xwpbe.F:892:132: 892 | *t71*t678)/0.2e1_dp) @@ -31625,6 +32877,11 @@ 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_xbecke88_lr_adiabatic.F:1851:40: + + 1851 | *t786*t1034*t1681 + | ^ +Warning: 't2220' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) @@ -31675,6 +32932,11 @@ 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_xbecke88_lr_adiabatic.F:316:59: + + 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_xwpbe.F:856:76: 856 | + (t412)*t414*t416*(t287)) @@ -31735,6 +32997,11 @@ 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_xbecke88_lr_adiabatic.F:2080:39: + + 2080 | *t289*t294*t1553 + | ^ +Warning: 't2404' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: 892 | *t71*t678)/0.2e1_dp) @@ -31760,6 +33027,11 @@ 806 | t952 = t372*t136 | ^ Warning: 't372' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:319:86: + + 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_xwpbe.F:385:65: 385 | t358, t359, t36, t361, t362, t363, t367, t368, t37, t372, t374, t376, t377, t381, t383, & @@ -31830,6 +33102,11 @@ 869 | - t147*t148*t1114 | ^ Warning: 't388' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2383:57: + + 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_xwpbe.F:386:25: 386 | t384, t387, t388, t39, t390, t391, t394, t397, t398, t4, t40, t400, t401, t402, t404, & @@ -31845,6 +33122,11 @@ 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_xbecke88_lr_adiabatic.F:320:48: + + 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_xwpbe.F:899:72: 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 @@ -31905,2738 +33187,1502 @@ 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: - - 904 | *t148*t404*t1117 - | ^ -Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:87: - - 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: - - 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:386:93: - - 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: - - 904 | *t148*t404*t1117 - | ^ -Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:13: - - 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: - - 904 | *t148*t404*t1117 - | ^ -Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:19: - - 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: - - 918 | + t412*t1362 + t412*t1365)) - | ^ -Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:25: - - 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: - - 918 | + t412*t1362 + t412*t1365)) - | ^ -Warning: 't409' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:31: - - 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: - - 827 | t1056 = t410*t1055 - | ^ -Warning: 't410' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:37: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't411' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:43: - - 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: - - 918 | + t412*t1362 + t412*t1365)) - | ^ -Warning: 't412' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:49: - - 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: - - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:55: - - 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: - - 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:387:61: - - 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: - - 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:387:67: - - 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: - - 908 | t1365 = t414*t416*t435 - | ^ -Warning: 't416' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:73: - - 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: - - 856 | + (t412)*t414*t416*(t287)) - | ^ -Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:79: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't418' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:85: - - 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: - - 858 | - t76*t1073*Clda)*sx0 - | ^ -Warning: 't423' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:96: - - 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: - - 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:388:13: - - 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: - - 869 | - t147*t148*t1114 - | ^ -Warning: 't426' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:19: - - 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: - - 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:388:25: - - 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: - - 926 | t147*t148*t1392 - | ^ -Warning: 't430' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:31: - - 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: - - 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:388:37: - - 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: - - 926 | t147*t148*t1392 - | ^ -Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:43: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:49: - - 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: - - 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:388:60: - - 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: - - 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:388:66: - - 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: - - 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:388:72: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't446' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:78: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't447' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:84: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't449' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:90: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:13: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't465' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:19: - - 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: - - 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:389:36: - - 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: - - 877 | + t888*t148*t889*t261) - | ^ -Warning: 't475' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:42: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't476' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:48: - - 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: - - 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:389:54: - - 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: - - 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:389:60: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't480' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:66: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't484' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:72: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't485' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:27: - - 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: - - 893 | t1263 = t489*t136 - | ^ -Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:33: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't491' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:39: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't495' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:45: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't497' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:51: - - 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: - - 926 | t147*t148*t1392 - | ^ -Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:67: - - 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: - - 926 | t147*t148*t1392 - | ^ -Warning: 't504' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:73: - - 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: - - 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:390:79: - - 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: - - 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:390:85: - - 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: - - 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:390:91: - - 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: - - 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:390:97: - - 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: - - 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:391:13: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:19: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't514' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:25: - - 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: - - 955 | *t1365)) - | ^ -Warning: 't515' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:31: - - 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: - - 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:391:42: - - 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: - - 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:369:69: - - 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: - - 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:369:76: - - 369 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t100, & - | ^ -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="\"Fri May 15 10:04:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'ps_implicit_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1684:31: - - 1684 | t101 = beta*t100 - | ^ -Warning: 'beta' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_pbe.F:1504:24: - - 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: - - 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:1515:42: - - 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: - - 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:1516:25: - - 1516 | kf_brhobrhob, mu - | ^ -note: 'mu' 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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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/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:1035:72: - - 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:1035:77: - - 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:1036:70: - - 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:1037:79: - - 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:1040:44: - - 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:1040:61: - - 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:1040:90: - - 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:1041:29: - - 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:1041:46: - - 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:1042:32: - - 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:1042:61: - - 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:1042:96: - - 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:1044:12: - - 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:1044:41: - - 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:1044:57: - - 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:1044:62: - - 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:1044:73: - - 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:1046:18: - - 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:1046:35: - - 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:1046:52: - - 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:1046:75: - - 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:1046:92: - - 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:1047:42: - - 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:1047:71: - - 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:1047:88: - - 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:1048:12: - - 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:1048:41: - - 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:1049:38: - - 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:1049:90: - - 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:1050:17: - - 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:1050:46: - - 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:1050:69: - - 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:1051:48: - - 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:1052:30: - - 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:1052:40: - - 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:1052:45: - - 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:1053:68: - - 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:1054:61: - - 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:1036:26: - - 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:1036:32: - - 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:1036:45: - - 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:1036:58: - - 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:1036:83: - - 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:1036:89: - - 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:1037:41: - - 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:1037:61: - - 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:1037:74: - - 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:1037:85: - - 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:1038:13: - - 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:1038:19: - - 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:1038:25: - - 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:1038:38: - - 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:1038:44: - - 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:1038:50: - - 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:1038:77: - - 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:1038:83: - - 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:1038:89: - - 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:1039:20: - - 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:1039:47: - - 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:1039:60: - - 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:1039:80: - - 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:1039:93: - - 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:1040:20: - - 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:1040:26: - - 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:1040:32: - - 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:1040:50: - - 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:1040:56: - - 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:1040:67: - - 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:1040:73: - - 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:1040:85: - - 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:1040:96: - - 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:1041:13: - - 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:1041:19: - - 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:1041:25: +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1858:39: - 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: + 1858 | *t321*t953*t1625 + | ^ +Warning: 't2468' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:904:33: - 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:1041:35: + 904 | *t148*t404*t1117 + | ^ +Warning: 't402' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:386:87: - 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: + 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: - 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:1053:12: + 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:386:93: - 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: + 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_xbecke88_lr_adiabatic.F:320:55: - 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:1053:53: + 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_xwpbe.F:904:33: - 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: + 904 | *t148*t404*t1117 + | ^ +Warning: 't405' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:13: - 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:1053:64: + 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: - 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: + 904 | *t148*t404*t1117 + | ^ +Warning: 't406' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:19: - 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:1053:73: + 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: - 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: + 918 | + t412*t1362 + t412*t1365)) + | ^ +Warning: 't408' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:25: - 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:1053:84: + 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: - 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: + 918 | + t412*t1362 + t412*t1365)) + | ^ +Warning: 't409' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:31: - 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:1054:24: + 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: - 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: + 827 | t1056 = t410*t1055 + | ^ +Warning: 't410' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:37: - 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:1054:29: + 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_xbecke88_lr_adiabatic.F:2253:66: - 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: + 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_xwpbe.F:955:132: - 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:1054:40: + 955 | *t1365)) + | ^ +Warning: 't411' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:43: - 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: + 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: - 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:1054:45: + 918 | + t412*t1362 + t412*t1365)) + | ^ +Warning: 't412' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:49: - 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: + 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: - 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:1054:72: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't413' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:55: - 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: + 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_xbecke88_lr_adiabatic.F:320:62: - 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:1054:89: + 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_xwpbe.F:907:35: - 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: + 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:387:61: - 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:1055:12: + 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: - 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: + 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:387:67: - 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:1055:29: + 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: - 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: + 908 | t1365 = t414*t416*t435 + | ^ +Warning: 't416' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:73: - 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:1055:40: + 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: - 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: + 856 | + (t412)*t414*t416*(t287)) + | ^ +Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:79: - 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:1055:45: + 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_xbecke88_lr_adiabatic.F:2156:59: - 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: + 2156 | - 0.2400000000e2_dp*t786/t2492*t1058 + | ^ +Warning: 't2492' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 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:1055:56: + 955 | *t1365)) + | ^ +Warning: 't418' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:85: - 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: + 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: - 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:1055:61: + 858 | - t76*t1073*Clda)*sx0 + | ^ +Warning: 't423' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:387:96: - 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: + 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_xbecke88_lr_adiabatic.F:320:75: - 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:1055:72: + 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_xwpbe.F:899:72: - 1055 | t86, t860, t867, t87, t880, t90, t91, t933, t94, t95, t961, t98 + 899 | (2._dp*t501*t398) + t147*t15*t647*t149 - t147*t397*t507 | ^ -note: 't98' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1551:32: +Warning: 't425' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:13: - 1551 | t98*t1400 - | ^ -Warning: 't207' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1041:41: + 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: - 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: + 869 | - t147*t148*t1114 + | ^ +Warning: 't426' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:19: - 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:1041:52: + 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: - 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: + 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:388:25: - 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:1041:58: + 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: - 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: + 926 | t147*t148*t1392 + | ^ +Warning: 't430' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:31: - 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:1041:64: + 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: - 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: + 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:388:37: - 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:1041:70: + 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: - 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: + 926 | t147*t148*t1392 + | ^ +Warning: 't433' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:43: - 1380 | /t69*t669) - | ^ -Warning: 't219' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1042:27: + 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_xbecke88_lr_adiabatic.F:1842:54: - 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: + 1842 | + 0.3200000000e2_dp*t1055*t3674 + | ^ +Warning: 't2537' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 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:1042:38: + 955 | *t1365)) + | ^ +Warning: 't435' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:320:93: - 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: + 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_xwpbe.F:388:49: - 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:1042:44: + 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: - 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: + 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:388:60: - 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:1042:50: + 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: - 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: + 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:388:66: - 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:1042:56: + 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: - 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: + 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:388:72: - 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:1042:67: + 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_xbecke88_lr_adiabatic.F:1833:32: - 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: + 1833 | t3668 = t2552*t23 + | ^ +Warning: 't2552' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 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:1042:79: + 955 | *t1365)) + | ^ +Warning: 't446' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:78: - 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: + 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_xbecke88_lr_adiabatic.F:321:14: - 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:1042:85: + 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_xwpbe.F:955:132: - 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: + 955 | *t1365)) + | ^ +Warning: 't447' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:84: - 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:1042:91: + 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: - 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: + 955 | *t1365)) + | ^ +Warning: 't449' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:388:90: - 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:1043:13: + 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: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + 955 | *t1365)) + | ^ +Warning: 't463' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:13: + + 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 | ^ -note: 't241' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1440:55: +note: 't463' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 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:1043:19: + 955 | *t1365)) + | ^ +Warning: 't465' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2401:67: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + 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_xwpbe.F:389:19: + + 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 | ^ -note: 't244' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: +note: 't465' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: - 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:1043:25: + 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:389:36: - 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: + 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_xbecke88_lr_adiabatic.F:321:21: - 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:1043:31: + 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_xwpbe.F:877:45: - 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: + 877 | + t888*t148*t889*t261) + | ^ +Warning: 't475' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:42: - 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:1043:37: + 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: - 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: + 955 | *t1365)) + | ^ +Warning: 't476' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:48: - 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:1043:43: + 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: - 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: + 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:389:54: - 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:1043:49: + 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_xbecke88_lr_adiabatic.F:1859:33: - 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: + 1859 | t3750 = t2585*t136 + | ^ +Warning: 't2585' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:892:132: - 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:1043:55: + 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:389:60: - 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: + 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_xbecke88_lr_adiabatic.F:321:42: - 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:1043:61: + 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_xwpbe.F:955:132: - 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: + 955 | *t1365)) + | ^ +Warning: 't480' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:66: - 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:1043:72: + 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: - 1043 | t241, t244, t245, t250, t251, t254, t255, t258, t259, t26, t264, t265, t27, t270, t271, & + 955 | *t1365)) + | ^ +Warning: 't484' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:389:72: + + 389 | t463, t465, t47, t471, t472, t475, t476, t478, t479, t480, t484 | ^ -note: 't264' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: +note: 't484' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 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:1043:78: + 955 | *t1365)) + | ^ +Warning: 't485' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:27: - 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: + 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: - 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:1043:89: + 893 | t1263 = t489*t136 + | ^ +Warning: 't489' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2372:57: - 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: + 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_xwpbe.F:390:33: - 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:1043:95: + 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_xbecke88_lr_adiabatic.F:321:60: - 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: + 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_xwpbe.F:955:132: - 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:1044:18: + 955 | *t1365)) + | ^ +Warning: 't491' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:39: - 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: + 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: - 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:1044:24: + 955 | *t1365)) + | ^ +Warning: 't495' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:45: - 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: + 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: - 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:1044:30: + 955 | *t1365)) + | ^ +Warning: 't497' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:51: - 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: + 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: - 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:1044:36: + 926 | t147*t148*t1392 + | ^ +Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:67: - 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: + 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_xbecke88_lr_adiabatic.F:2088:42: - 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:1044:47: + 2088 | *t83*t45*t3581*t140 + | ^ +Warning: 't2631' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:926:32: - 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: + 926 | t147*t148*t1392 + | ^ +Warning: 't504' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:390:73: - 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:1044:53: + 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: - 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: + 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_xbecke88_lr_adiabatic.F:322:28: - 1483 | + t1136) - | ^ -Warning: 't304' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1044:68: + 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_xwpbe.F:390:79: - 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: + 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: - 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:1044:85: + 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:390:85: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & | ^ -note: 't312' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1542:37: +note: 't507' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:936:56: - 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:1044:91: + 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:390:91: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & | ^ -note: 't313' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: +note: 't508' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:936:56: - 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:1044:97: + 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:390:97: - 1044 | t28, t281, t284, t285, t289, t29, t293, t297, t3, t30, t304, t31, t311, t312, t313, t316, & + 390 | REAL(KIND=dp) :: t485, t489, t491, t495, t497, t5, t500, t501, t504, t505, t507, t508, t510, & | ^ -note: 't316' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: +note: 't510' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:936:56: - 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:1045:13: + 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:391:13: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & | ^ -note: 't319' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: +note: 't511' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2080:39: - 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:1045:19: + 2080 | *t289*t294*t1553 + | ^ +Warning: 't2636' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + 955 | *t1365)) + | ^ +Warning: 't513' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:19: + + 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & | ^ -note: 't321' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1461:38: +note: 't513' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:322:42: - 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:1045:25: + 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_xwpbe.F:955:132: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + 955 | *t1365)) + | ^ +Warning: 't514' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:25: + + 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & | ^ -note: 't323' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1419:54: +note: 't514' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:955:132: - 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:1045:31: + 955 | *t1365)) + | ^ +Warning: 't515' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:391:31: - 1045 | t319, t321, t323, t325, t326, t328, t330, t335, t339, t34, t343, t346, t347, t351, t354, & + 391 | t511, t513, t514, t515, t52, t520, t53, t530, t537, t54, t540, t542, t546, t550, t553, & | ^ -note: 't325' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: +note: 't515' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:919:88: - 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:1045:37: + 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:391:42: - 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: + 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_xbecke88_lr_adiabatic.F:2071:60: - 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:1045:43: + 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:322:92: - 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: + 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_xwpbe.F:5671:94: - 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:1045:49: + 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:369:69: - 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: + 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_xbecke88_lr_adiabatic.F:2035:41: - 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:1045:55: + 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:323:20: - 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: + 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_xwpbe.F:5635:90: - 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:1045:61: + 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:369:76: - 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: + 369 | 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:2347:59: - 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:1045:72: + 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:323:60: - 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: + 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: - 1404 | REAL(t46, KIND=dp) + 1911 | *t400*t1333*t1410 | ^ -Warning: 't346' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:78: +Warning: 't2808' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:323:87: - 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: + 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: - 1475 | t41*t328*t466 + 2710 | t5011 + t5001 | ^ -Warning: 't347' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1045:84: - - 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: +Warning: 't2821' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:20: - 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:1045:90: + 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: - 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: + 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:324:27: - 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:1045:96: + 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: - 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: + 1924 | t1320*t1483 + | ^ +Warning: 't2873' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:324:68: - 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:1046:13: + 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: - 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: + 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:324:82: - 1584 | *sx - | ^ -Warning: 't365' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:24: + 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: - 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: + 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:325:21: - 1551 | t98*t1400 - | ^ -Warning: 't368' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1046:30: + 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: - 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: + 2779 | *t6271 + | ^ +Warning: 't2992' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:325:52: - 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:1046:41: + 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: - 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: + 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:325:59: - 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:1046:47: + 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: - 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: + 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:325:66: - 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:1046:58: + 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: - 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: + 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:325:86: - 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:1046:64: + 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: - 1046 | t358, t36, t365, t368, t37, t372, t377, t38, t382, t383, t384, t39, t393, t397, t40, & + 2003 | + 0.7407407410e-1_dp*t192*t194*t1836*t526 | ^ -note: 't383' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1507:77: +Warning: 't3097' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:326:60: - 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:1046:70: + 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: - 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: + 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:327:65: - 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:1046:81: + 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: - 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: + 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:327:72: - 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:1046:87: + 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: - 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: + 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:327:85: - 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:1047:13: + 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: - 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: + 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:328:27: - 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:1047:19: + 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: - 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: + 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:328:53: - 1551 | t98*t1400 - | ^ -Warning: 't404' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:25: + 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: - 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: + 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:393:89: - 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:1047:31: + 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: - 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: + 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:393:95: - 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:1047:37: + 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: - 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: + 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:394:13: - 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:1047:54: + 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: - 1047 | t400, t401, t404, t405, t408, t41, t412, t413, t417, t418, t42, t428, t429, t43, t435, & + 1842 | + 0.3200000000e2_dp*t1055*t3674 | ^ -note: 't413' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1454:57: +Warning: 't764' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:19: - 1454 | - 0.1111111111e0_dp*t117*t293*t404 + 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: + + 1771 | *t102*t3363 - 0.20e1_dp*t102*t3379 | ^ -Warning: 't417' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1047:60: +Warning: 't766' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:31: - 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: + 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: - 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:1047:66: + 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:394:37: - 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: + 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: - 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:1047:77: + 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:394:43: - 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: + 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/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - 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:1047:83: + 1832 | *t3339 + | ^ +Warning: 't773' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:49: - 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: + 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: - 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:1047:94: + 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:394:61: - 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: + 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: - 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:1048:18: + 1765 | t12*t1058 + | ^ +Warning: 't782' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:394:72: - 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: + 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: - 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:1048:24: + 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:394:84: - 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: + 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: - 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:1048:30: + 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:394:90: - 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: + 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: - 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:1048:36: + 1765 | t12*t1058 + | ^ +Warning: 't797' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:395:37: - 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: + 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: - 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:1048:47: + 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:395:47: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ -note: 't460' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: +note: 't800' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1872:70: - 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:1048:53: + 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:395:53: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ -note: 't462' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1475:36: +note: 't801' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:2099:96: - 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:1048:59: + 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:395:59: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ -note: 't463' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: +note: 't804' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: - 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:1048:65: + 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:395:65: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ -note: 't464' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: +note: 't815' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1911:40: - 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:1048:71: + 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:395:71: - 1048 | t44, t451, t452, t455, t457, t46, t460, t462, t463, t464, t465 + 395 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & | ^ -note: 't465' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1578:74: +note: 't822' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1784:38: - 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:1049:27: + 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:395:83: - 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: + 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: - 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:1049:33: + 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:395:94: - 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: + 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: - 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:1049:44: + 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:396:29: - 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: + 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: - 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_xbecke88_long_range.F:1049:50: + 1976 | *t3382 + | ^ +Warning: 't859' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:47: - 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_xbecke88_long_range.F:1468:68: + 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: - 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_xbecke88_long_range.F:1049:56: + 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:396:64: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + 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: + + 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:396:70: + + 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: + + 1815 | - 0.5000000001e0_dp*t60*t865*t709 | ^ -note: 't478' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1526:63: +Warning: 't865' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:396:76: - 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:1049:62: + 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: - 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: + 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:396:82: - 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:1049:73: + 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: - 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: + 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:397:13: - 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_xbecke88_long_range.F:1049:79: + 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: - 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_xbecke88_long_range.F:1526:63: + 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:397:25: - 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:1049:85: + 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: - 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: + 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:397:42: - 1483 | + t1136) - | ^ -Warning: 't492' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1049:96: + 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: - 1049 | REAL(kind=dp) :: t466, t467, t47, t470, t473, t478, t479, t48, t482, t486, t489, t49, t492, & + 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:397:48: + + 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: + + 2099 | t3869 + t4657 + t4696) | ^ -note: 't492' was declared here -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1429:30: +Warning: 't893' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:397:60: - 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:1050:13: + 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: - 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: + 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:397:72: - 1584 | *sx - | ^ -Warning: 't501' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:23: + 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: - 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_xbecke88_long_range.F:1551:32: + 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:397:88: - 1551 | t98*t1400 - | ^ -Warning: 't502' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:29: + 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: - 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: + 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:397:94: - 1551 | t98*t1400 - | ^ -Warning: 't505' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:35: + 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: - 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_xbecke88_long_range.F:1560:99: + 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:398:13: - 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:1050:41: + 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: - 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: + 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:398:19: - 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_xbecke88_long_range.F:1050:52: + 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: - 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_xbecke88_long_range.F:1560:99: + 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:398:30: - 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:1050:58: + 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: - 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: + 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:398:48: - 1365 | t624 = 0.1e1_dp/t8/t519 - | ^ -Warning: 't519' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:64: + 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: - 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_xbecke88_long_range.F:1560:99: + 1866 | *t339*t969 + | ^ +Warning: 't930' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:398:59: - 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:1050:75: + 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: - 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: + 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:398:70: - 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:1050:81: + 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: - 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: + 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:398:76: - 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_xbecke88_long_range.F:1050:87: + 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: - 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_xbecke88_long_range.F:1584:49: + 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:399:39: - 1584 | *sx - | ^ -Warning: 't529' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1050:93: + 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: - 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: + 1866 | *t339*t969 + | ^ +Warning: 't949' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:45: - 1551 | t98*t1400 - | ^ -Warning: 't530' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:13: + 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: - 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_xbecke88_long_range.F:1578:74: + 1866 | *t339*t969 + | ^ +Warning: 't950' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:56: - 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:1051:31: + 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: - 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: + 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_xbecke88_lr_adiabatic.F:399:62: - 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:1051:37: + 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: - 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: + 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:399:74: - 1578 | *t1449*t52 - 0.5000000001e0_dp*t41*t1449*t46) + 399 | REAL(KIND=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & | ^ -Warning: 't539' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_long_range.F:1051:43: +note: 't955' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1832:29: - 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_xbecke88_long_range.F:1542:37: + 1832 | *t3339 + | ^ +Warning: 't959' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:86: - 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:1051:54: + 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: - 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: + 1866 | *t339*t969 + | ^ +Warning: 't962' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:399:92: - 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:1051:60: + 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: - 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: + 1832 | *t3339 + | ^ +Warning: 't963' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:13: - 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:1051:66: + 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_xbecke88_lr_adiabatic.F:1872:70: - 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: + 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:400:19: - 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:1051:72: + 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_xbecke88_lr_adiabatic.F:1866:33: - 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: + 1866 | *t339*t969 + | ^ +Warning: 't969' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:25: - 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:1051:78: + 400 | t963, t966, t969, t97, t972, t973, t974, t975, t976, t979, t98, t980, t983, t984, t987, & + | ^ +note: 't969' was declared here +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1866:33: - 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: + 1866 | *t339*t969 + | ^ +Warning: 't973' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:42: - 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:1051:84: + 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: - 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: + 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:400:48: - 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:1051:90: + 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: - 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: + 1866 | *t339*t969 + | ^ +Warning: 't976' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:60: - 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:1051:96: + 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: - 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: + 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:400:77: - 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:1052:13: + 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: - 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: + 1832 | *t3339 + | ^ +Warning: 't984' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:400:89: - 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:1052:19: + 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: - 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: + 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:400:95: - 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:1052:25: + 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/Makefile:560: update target 'xc_tfw.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:1842:54: - 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: + 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:401:18: - 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:1052:36: + 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: - 1052 | t576, t580, t586, t59, t590, t6, t60, t601, t605, t606, t613, t624, t628, t632, t639, & - | ^ -note: 't590' was declared here + 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:401:24: + + 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:401:30: + + 401 | t99, t991, t995, t997, xx + | ^ +note: 't997' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_xalpha.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:11 +14 2025\"" -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/Makefile:560: update target 'xc_xbeef.mod' due to: target does not exist +true +/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/Makefile:560: update target 'input_cp2k_se.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xc_tfw.mod' due to: target does not exist +/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/Makefile:560: update target 'semi_empirical_parameters.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 +/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_b97.mod' due to: target does not exist +/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_xbecke_roussel.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_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="\"Sun Apr 13 06:29:11 +14 2025\"" -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: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: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: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 'input_cp2k_tmc.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 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="\"Sun Apr 13 06:29:11 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:11 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:11 +14 2025\"" -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/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="\"Sun Apr 13 06:29:11 +14 2025\"" -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/src/xc/xc_xwpbe.F:4750:24: 4750 | t256 = t1*ndrho @@ -35662,13 +35708,11 @@ 4925 | 0.32e2_dp/0.3e1_dp*t197*t603 + (20._dp*t25*t607) | ^ Warning: 't184' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_tmc.mod' due to: target does not exist /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:4548:89: 4548 | t17, t170, t171, t173, t174, t176, t177, t178, t179, t18, t180, t182, t183, t184, t185, & | ^ note: 't184' was declared here -true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:5080:117: 5080 | - (16._dp*t469*t203)) @@ -37199,26 +37243,18 @@ 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_ke_gga.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:11 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:11 +14 2025\"" -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_perdew86.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_tb.mod' due to: target does not exist +/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: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: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_xbecke88.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_xbr_pbe_lda_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="\"Fri May 15 10:04:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'xc_vwn.mod' due to: target does not exist +/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/src/xc/xc_xwpbe.F:3905:24: 3905 | t295 = t1*ndrho @@ -38094,6 +38130,8 @@ 3994 | t461 = -t215 - t221 + t248 - t280 - 0.2e1_dp/0.3e1_dp*t72*t44*t6 | ^ Warning: 't72' may be used uninitialized [-Wmaybe-uninitialized] +/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/src/xc/xc_xwpbe.F:3693:36: 3693 | t713, t714, t717, t718, t72, t721, t724, t725, t727, t73, t74, t743, t746, t748, t75, & @@ -38634,6 +38672,8 @@ 4241 | *(t435)*(t437)*(t976) | ^ Warning: 't277' may be used uninitialized [-Wmaybe-uninitialized] +/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/src/xc/xc_xwpbe.F:3676:72: 3676 | t252, t258, t259, t260, t261, t262, t266, t268, t27, t274, t277 @@ -40379,28 +40419,24 @@ 3656 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1004, & | ^ note: 'dqrho' 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 'semi_empirical_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="\"Sun Apr 13 06:29:15 +14 2025\"" -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 +/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: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_subsys.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:42 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:42 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:42 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:42 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:42 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:15 +14 2025\"" -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="\"Sun Apr 13 06:29:15 +14 2025\"" -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="\"Sun Apr 13 06:29:16 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:16 +14 2025\"" -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 +/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/src/xc/xc_xwpbe.F:2950:24: @@ -42302,6 +42338,7 @@ 2683 | t387, t388, t389, t39, t391, t392, t395, t396, t4, t400, t403, t404, t405, t407, t409, & | ^ note: 't403' was declared here +/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/src/xc/xc_xwpbe.F:3551:115: 3551 | *t68 - 2._dp*t733*t404 + 2._dp*t85*t1119 - t85*t1136) @@ -42312,6 +42349,7 @@ 2683 | t387, t388, t389, t39, t391, t392, t395, t396, t4, t400, t403, t404, t405, t407, t409, & | ^ note: 't404' was declared here +true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:3239:46: 3239 | *t303*t1119 - t338*t303*t1136 @@ -43217,6 +43255,8 @@ 3355 | (4._dp*t510*t552) | ^ Warning: 't641' may be used uninitialized [-Wmaybe-uninitialized] +/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/src/xc/xc_xwpbe.F:2691:60: 2691 | t626, t628, t629, t63, t633, t634, t635, t638, t641, t644, t65, t650, t652, t656, t658, & @@ -43892,12 +43932,44 @@ 2654 | 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 'fist_nonbond_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="\"Sun Apr 13 06:29:16 +14 2025\"" -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 /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: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_thermostats.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: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="\"Sun Apr 13 06:29:17 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:17 +14 2025\"" -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="\"Sun Apr 13 06:29:17 +14 2025\"" -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="\"Sun Apr 13 06:29:17 +14 2025\"" -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: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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_loc.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.a' due to: target does not exist +echo "Updating archive /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kpw.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="\"Sun Apr 13 06:29:17 +14 2025\"" -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="\"Sun Apr 13 06:29:17 +14 2025\"" -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 +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 dct.o rs_methods.o dielectric_types.o ps_wavelet_methods.o dirichlet_bc_types.o pw_grid_info.o ps_wavelet_kernel.o dgs.o dg_rho0_types.o ps_wavelet_base.o ps_wavelet_scaling_function.o realspace_grid_types.o dg_types.o pw_spline_utils.o dirichlet_bc_methods.o ps_wavelet_fft3d.o pw_gpu.o pw_types.o ps_wavelet_util.o mt_util.o pw_fpga.o lazy.o pw_poisson_methods.o fft_tools.o realspace_grid_cube.o dielectric_methods.o pw_grid_types.o ps_implicit_types.o pw_methods.o pw_pool_types.o cube_utils.o ps_wavelet_types.o ps_implicit_methods.o pw_copy_all.o pw_poisson_types.o cp_linked_list_pw.o pw_grids.o +ar: creating /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 +/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) @@ -43908,60 +43980,6 @@ 359 | dscale, dssss, dssss_sr, dtmp, dzz, enuc_loc, pai, paj, pbi, pbj, qcorr, rij, rija, & | ^ note: 'dzz' 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="\"Fri May 15 10:04:43 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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 pw_fpga.o ps_implicit_methods.o cp_linked_list_pw.o realspace_grid_types.o pw_spline_utils.o ps_wavelet_fft3d.o rs_methods.o pw_grid_types.o dirichlet_bc_types.o ps_wavelet_kernel.o realspace_grid_cube.o dielectric_types.o ps_implicit_types.o pw_gpu.o dirichlet_bc_methods.o ps_wavelet_scaling_function.o pw_poisson_types.o ps_wavelet_util.o dg_rho0_types.o pw_poisson_methods.o mt_util.o ps_wavelet_types.o dct.o lazy.o pw_copy_all.o dg_types.o dielectric_methods.o cube_utils.o pw_pool_types.o pw_grid_info.o pw_grids.o pw_methods.o pw_types.o fft_tools.o ps_wavelet_base.o dgs.o ps_wavelet_methods.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="\"Fri May 15 10:04:43 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Fri May 15 10:04:43 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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)) - | ^ -Warning: 'drij[0]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F:105:64: - - 105 | REAL(KIND=dp), DIMENSION(3) :: drij - | ^ -note: 'drij[0]' was declared here -/build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F:289:108: - - 289 | core(10, n)*(ij_matrix%dd_d(2, idd, 4, 4) + ij_matrix%dd_d(2, idd, 5, 5)) - | ^ -Warning: 'drij[1]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F:105:64: - - 105 | REAL(KIND=dp), DIMENSION(3) :: drij - | ^ -note: 'drij[1]' was declared here -/build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F:296:108: - - 296 | core(10, n)*(ij_matrix%dd_d(3, idd, 4, 4) + ij_matrix%dd_d(3, idd, 5, 5)) - | ^ -Warning: 'drij[2]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F:105:64: - - 105 | REAL(KIND=dp), DIMENSION(3) :: drij - | ^ -note: 'drij[2]' 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="\"Fri May 15 10:04:43 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:04:43 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'xc_libxc.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 -true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xwpbe.F:1810:24: 1810 | t419 = t1*ndrho @@ -45792,6 +45810,8 @@ 1515 | REAL(KIND=dp) :: t372, t373, t374, t375, t376, t377, t378, t38, t383, t384, t385, t386, t39, & | ^ note: 't378' was declared here +/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/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="\"Sun Apr 13 06:29:18 +14 2025\"" -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/src/xc/xc_xwpbe.F:2142:37: 2142 | - (48._dp*t437*t398) @@ -47617,8 +47637,6 @@ 2618 | alpha6*t284*t286) - (12._dp*t1740*t194*t44*t2715) | ^ Warning: 't849' may be used uninitialized [-Wmaybe-uninitialized] -/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/src/xc/xc_xwpbe.F:1531:83: 1531 | t820, t823, t826, t83, t832, t834, t836, t84, t842, t845, t846, t848, t849, t85, t851, & @@ -48054,26 +48072,11 @@ 1480 | REAL(KIND=dp) :: d2Qndrhondrho, d2Qrhondrho, d2Qrhorho, dQndrho, dQrho, Q, t1, t10, t1001, & | ^ note: 'dqrho' was declared here -/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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_loc.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:43 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:43 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:43 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:43 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:43 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:43 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:18 +14 2025\"" -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/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="\"Sun Apr 13 06:29:18 +14 2025\"" -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 +/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/src/shg_integrals_test.F:261:75: 261 | lmax = MAX(MAX(lamax + lcamax, lbmax), MAX(lamax, lbmax + lcbmax)) @@ -48086,44 +48089,79 @@ note: 'lcamax' was declared here /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:560: update target 'ewald_pw_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="\"Sun Apr 13 06:29:18 +14 2025\"" -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/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)) + | ^ +Warning: 'drij[0]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F:105:64: + + 105 | REAL(KIND=dp), DIMENSION(3) :: drij + | ^ +note: 'drij[0]' was declared here +/build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F:289:108: + + 289 | core(10, n)*(ij_matrix%dd_d(2, idd, 4, 4) + ij_matrix%dd_d(2, idd, 5, 5)) + | ^ +Warning: 'drij[1]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F:105:64: + + 105 | REAL(KIND=dp), DIMENSION(3) :: drij + | ^ +note: 'drij[1]' was declared here +/build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F:296:108: + + 296 | core(10, n)*(ij_matrix%dd_d(3, idd, 4, 4) + ij_matrix%dd_d(3, idd, 5, 5)) + | ^ +Warning: 'drij[2]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/semi_empirical_int_ana.F:105:64: + + 105 | REAL(KIND=dp), DIMENSION(3) :: drij + | ^ +note: 'drij[2]' was declared here +/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 'topology_cif.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 '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="\"Fri May 15 10:04:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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 'shg_integrals_test.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_cif.mod' due to: target does not exist +/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 'ipi_server.mod' due to: target does not exist +/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 'topology_xtl.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: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 '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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:22 +14 2025\"" -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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:23 +14 2025\"" -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="\"Sun Apr 13 06:29:23 +14 2025\"" -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/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="\"Sun Apr 13 06:29:23 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:23 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:23 +14 2025\"" -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/Makefile:560: update target 'xc_xwpbe.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 +/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/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 -/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 '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="\"Fri May 15 10:04:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'ewalds.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/pme.F:224:11: @@ -48138,13 +48176,11 @@ note: 'rpot' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pme.mod' due to: target does not exist true -/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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:31 +14 2025\"" -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/src/ewalds_multipole.F:554:34: 554 | REAL(KIND=dp) :: alpha, ch_i, ch_j, ef0_i, ef0_j, eloc, fac, fac_ij, ir, irab2, ptens11, & @@ -48155,6 +48191,18 @@ 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 '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 +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_types.F mixed_cdft_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_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/qs_subsys_types.F qs_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="\"Sun Apr 13 06:29:31 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'sap_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/sap_kind_types.F 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="\"Sun Apr 13 06:29:32 +14 2025\"" -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 'particle_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/particle_methods.F particle_methods.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:3363:39: 3363 | t306 = 0.1e1_dp/t10/t224 @@ -49095,6 +49143,7 @@ 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="\"Sun Apr 13 06:29:32 +14 2025\"" -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/src/xc/xc_xbecke88_lr_adiabatic.F:4449:30: 4449 | t3097 = t66*t69 @@ -50335,6 +50384,8 @@ 3115 | REAL(kind=dp) :: t471, t4713, t4714, t4717, t472, t4721, t4725, t4726, t4729, t473, t4732, & | ^ note: 't473' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_integral_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_integral_utils.F qs_integral_utils.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:4428:33: 4428 | t1176*t804 @@ -51885,6 +51936,7 @@ 3056 | t1388, t1392, t1396, t1397, t14, t140, t1401, t1406, t1408, t1409, t141, t1410, t1411, & | ^ note: 't1409' 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="\"Sun Apr 13 06:29:32 +14 2025\"" -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/src/xc/xc_xbecke88_lr_adiabatic.F:5414:58: 5414 | t6155 = 0.2500000000e0_dp*t1981*t4032*t1410 @@ -52755,6 +52807,8 @@ 3071 | t1718, t1719, t172, t1720, t1722, t1724, t1726, t1728, t1730, t1731, t1735, t1737, t1740, & | ^ note: 't1737' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_harris_types.o' due 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_types.F qs_harris_types.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:5324:57: 5324 | t5929 = 0.2250000000e2_dp*t1740*t471*t4905 @@ -53560,13 +53614,11 @@ 4871 | t4704 = 0.3333333336e0_dp*t2147*t84*t4701 | ^ Warning: 't2147' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kind_types.mod' due to: target does not exist /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:3086:55: 3086 | t2130, t2131, t2138, t2139, t214, t2143, t2147, t2160, t2169 | ^ note: 't2147' was declared here -true /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:5022:66: 5022 | *t7*t640*t635*t371 + 0.180e2_dp*t5115*t1681 @@ -53967,8 +54019,6 @@ 3166 | 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:513: update target 'mixed_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/mixed_cdft_types.F mixed_cdft_types.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:4601:29: 4601 | *t3339 @@ -54074,6 +54124,7 @@ 4680 | *t400*t1333*t1410 | ^ Warning: 't822' 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="\"Sun Apr 13 06:29:32 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:3167:71: 3167 | t790, t792, t795, t796, t797, t8, t800, t801, t804, t815, t822, t826, t827, t83, t833, & @@ -54319,13 +54370,11 @@ 3171 | 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/Makefile:513: update target 'qs_subsys_types.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:5205:56: 5205 | t5607 = 0.5866666667e2_dp*t307*t949*t5069 | ^ Warning: 't949' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_subsys_types.F qs_subsys_types.F90 /build/reproducible-path/cp2k-2025.1/src/xc/xc_xbecke88_lr_adiabatic.F:3171:45: 3171 | REAL(kind=dp) :: t942, t944, t946, t949, t95, t950, t953, t954, t955, t958, t959, t962, & @@ -54501,26 +54550,26 @@ 3173 | t99, t991, t995, t997, xx | ^ note: 't997' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'sap_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/sap_kind_types.F sap_kind_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'particle_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/particle_methods.F particle_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_integral_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_integral_utils.F qs_integral_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_harris_types.o' due 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_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="\"Sun Apr 13 06:29:32 +14 2025\"" -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_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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:35 +14 2025\"" -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="\"Sun Apr 13 06:29:35 +14 2025\"" -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 '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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:29:35 +14 2025\"" -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 '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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:35 +14 2025\"" -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 +/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 +/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="\"Sun Apr 13 06:29:35 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/ewald_methods_tb.F:332:58: 332 | pfr = -dfr*mcharge(iatom)*mcharge(jatom) @@ -54531,49 +54580,20 @@ 303 | REAL(KIND=dp) :: dfr, dr, fr, pfr, rij(3) | ^ note: 'dfr' was declared here -/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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:29:35 +14 2025\"" -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 '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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:29:36 +14 2025\"" -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: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 -/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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'ewald_methods_tb.mod' due to: target does not exist -true -/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:136:30: 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="\"Fri May 15 10:04:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:36 +14 2025\"" -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 +/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 /build/reproducible-path/cp2k-2025.1/src/qs_fb_atomic_halo_types.F:166:38: 166 | SUBROUTINE fb_atomic_halo_associate(a, b) @@ -54589,7 +54609,12 @@ 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="\"Fri May 15 10:04:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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="\"Sun Apr 13 06:29:36 +14 2025\"" -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="\"Sun Apr 13 06:29:36 +14 2025\"" -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 +/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/src/qs_linres_types.F:1021:35: 1021 | SUBROUTINE deallocate_jrho_coeff(jrho1_atom_set, iatom) @@ -54600,6 +54625,8 @@ 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] +/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/src/auto_basis.F:573:29: 573 | SUBROUTINE overlap_maximum(lm, npgf, nfun, zet, gcc, nfit, afit, amet, eval) @@ -54615,35 +54642,18 @@ 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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:36 +14 2025\"" -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: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:560: update target 'semi_empirical_expns3_methods.mod' due to: target does not exist -true -/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="\"Fri May 15 10:04:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_atomic_halo_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_fb_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_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="\"Fri May 15 10:04:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:82:67: - - 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/Makefile:560: update target 'atomic_charges.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:37 +14 2025\"" -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 +/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: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/src/sap_kind_types.F:616:91: 616 | sab(1:na, first_col:first_col + nprjc - 1) = ai_work(1:na, 1:nprjc, i) @@ -54654,6 +54664,48 @@ 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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:37 +14 2025\"" -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: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="\"Sun Apr 13 06:29:37 +14 2025\"" -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: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 'mixed_cdft_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/auto_basis.F:65:77: + + 65 | INTEGER :: i, j, jj, l, laux, linc, lmax, lval, lx, & + | ^ +Warning: 'laux' 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="\"Sun Apr 13 06:29:37 +14 2025\"" -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/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:38 +14 2025\"" -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 +/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/Makefile:513: update target 'qs_fb_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_fb_env_types.F 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="\"Sun Apr 13 06:29:38 +14 2025\"" -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 +/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 'auto_basis.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'semi_empirical_expns3_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="\"Sun Apr 13 06:29:38 +14 2025\"" -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="\"Sun Apr 13 06:29:38 +14 2025\"" -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: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 'negf_atom_map.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:39 +14 2025\"" -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/src/molden_utils.F:82:67: + + 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/qs_fb_env_types.F:97:27: 97 | SUBROUTINE fb_env_retain(fb_env) @@ -54669,97 +54721,74 @@ 207 | SUBROUTINE fb_env_init(fb_env) | ^ Warning: 'fb_env_init' defined but not used [-Wunused-function] -/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/Makefile:560: update target 'negf_vectors.mod' due to: target does not exist +/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 'qs_fb_env_types.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pwdft_environment_types.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/src/ewalds_multipole.F:378:40: + + 378 | REAL(KIND=dp) :: alpha, beta, ch_i, ch_j, dampa_ij, dampa_ji, dampaexpi, dampaexpj, & + | ^ +Warning: 'ch_i' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/ewalds_multipole.F:378:46: + + 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] /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 -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'qs_interactions.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:560: update target 'qs_harris_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/auto_basis.F:65:77: - - 65 | INTEGER :: i, j, jj, l, laux, linc, lmax, lval, lx, & - | ^ -Warning: 'laux' may be used uninitialized [-Wmaybe-uninitialized] -/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 +/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/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="\"Fri May 15 10:04:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:42 +14 2025\"" -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 '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 /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_types.F hfx_types.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'negf_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/negf_matrix_utils.F negf_matrix_utils.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'commutator_rkinetic.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:42 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_atomic_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="\"Sun Apr 13 06:29:42 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_mincrawl.o' 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_mincrawl.F glbopt_mincrawl.F90 -/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:43 +14 2025\"" -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: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:560: update target 'mixed_environment_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="\"Sun Apr 13 06:29:43 +14 2025\"" -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:513: update target 'task_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/task_list_methods.F 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="\"Sun Apr 13 06:29:43 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:43 +14 2025\"" -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 /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 '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="\"Fri May 15 10:04:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'qs_ks_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="\"Sun Apr 13 06:29:44 +14 2025\"" -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="\"Sun Apr 13 06:29:44 +14 2025\"" -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 'qs_dftb_parameters.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 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'task_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/task_list_methods.F 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="\"Fri May 15 10:04:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /build/reproducible-path/cp2k-2025.1/src/qs_fb_filter_matrix_methods.F:1432:39: 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/src/ewalds_multipole.F:378:40: - - 378 | REAL(KIND=dp) :: alpha, beta, ch_i, ch_j, dampa_ij, dampa_ji, dampaexpi, dampaexpj, & - | ^ -Warning: 'ch_i' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/ewalds_multipole.F:378:46: - - 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] -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'mixed_environment_types.mod' due to: target does not exist -true /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_linres_types.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/distribution_methods.F:271:48: 271 | bin_price = workload_fill(ipe) @@ -54770,7 +54799,12 @@ 123 | imolecule_prev_kind, iparticle_kind, ipe, iw, kind_a, molecule_a, n, natom, nbins, nload, & | ^ note: 'ipe' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dftb_parameters.mod' due to: target does not exist +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:47 +14 2025\"" -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 'sap_kind_types.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/cp_dbcsr_cp2k_link.F:485:13: @@ -54782,22 +54816,47 @@ 455 | irow, jatom, last_jatom, nadd | ^ note: 'last_jatom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_oce_types.o' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_oce_types.F qs_oce_types.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'commutator_rpnl.o' 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_rpnl.F 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="\"Sun Apr 13 06:29:48 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_oce_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_oce_methods.F 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="\"Sun Apr 13 06:29:48 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:48 +14 2025\"" -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 +/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/Makefile:560: update target 'cp_dbcsr_cp2k_link.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:48 +14 2025\"" -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: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 'mulliken.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:49 +14 2025\"" -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 /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:49 +14 2025\"" -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 /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="\"Fri May 15 10:04:51 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:51 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'distribution_methods.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/qs_oce_methods.F:338:32: + + 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] +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_oce_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="\"Sun Apr 13 06:29:49 +14 2025\"" -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 +/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="\"Fri May 15 10:04:51 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:51 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:29:49 +14 2025\"" -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/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 @@ -54818,64 +54877,51 @@ 67 | lfomo_a, lfomo_b, nmo_a, nmo_b, & | ^ note: 'lfomo_b' declared here -/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:560: update target 'qs_fb_filter_matrix_methods.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 -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_oce_types.F qs_oce_types.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'commutator_rpnl.o' 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_rpnl.F commutator_rpnl.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_oce_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_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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:52 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:29:50 +14 2025\"" -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/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 '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 'qs_mo_occupation.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:50 +14 2025\"" -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 /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 -/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="\"Fri May 15 10:04:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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 'negf_matrix_utils.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/src/qs_oce_methods.F:338:32: - - 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="\"Sun Apr 13 06:29:51 +14 2025\"" -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/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="\"Fri May 15 10:04:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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/kpoint_methods.F:1595:22: 1595 | SUBROUTINE matprint(mat) | ^ Warning: 'matprint' 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="\"Sun Apr 13 06:29:51 +14 2025\"" -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/src/smeagol_matrix_utils.F:1631:19: + + 1631 | END IF + | ^ +Warning: 'irow_proc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:1585:81: + + 1585 | LOGICAL :: do_distribute, is_root_rank + | ^ +note: 'irow_proc' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_mo_io.F:1224:61: 1224 | cmatrix(icgf, 1), ncgf) @@ -54906,35 +54952,54 @@ 1034 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cmatrix, smatrix | ^ note: 'cmatrix.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:1631:19: +/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/src/smeagol_matrix_utils.F:944:22: - 1631 | END IF - | ^ + 944 | send_buffer(offset_send_mepos + 1:offset_send_mepos + ncols_local) = & + | ^ Warning: 'irow_proc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:1585:81: +/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:810:40: - 1585 | LOGICAL :: do_distribute, is_root_rank - | ^ + 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 'kg_tnadd_mat.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/src/task_list_methods.F:1014:66: 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/src/smeagol_matrix_utils.F:944:22: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:58 +14 2025\"" -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/qs_overlap.F:270:10: - 944 | send_buffer(offset_send_mepos + 1:offset_send_mepos + ncols_local) = & - | ^ -Warning: 'irow_proc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:810:40: + 270 | IF (dokp) THEN + | ^ +Warning: 'dokp' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:194:89: - 810 | INTEGER(kind=int_8) :: n_nonzero_elements_dbcsr, & - | ^ -note: 'irow_proc' was declared here + 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:195:83: + + 195 | trans, use_cell_mapping, use_virial + | ^ +note: 'use_cell_mapping' was declared here +/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 '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 /build/reproducible-path/cp2k-2025.1/src/qs_mo_io.F:881:31: 881 | IF (iset_read > nset_info(iatom)) use_this = .FALSE. @@ -55040,41 +55105,6 @@ 689 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: vecbuffer, vecbuffer_read | ^ note: 'vecbuffer_read.dim[1].ubound' was declared here -/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/src/smeagol_matrix_utils.F:729:22: - - 729 | reorder_recv_buffer(offset_send_mepos + 1:offset_send_mepos + ncols_local) = & - | ^ -Warning: 'irow_proc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:430:69: - - 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/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:194:89: - - 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 | !$OMP REDUCTION (+ : pv_thread, force_thread ) - | ^ -Warning: 'use_cell_mapping' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:195:83: - - 195 | trans, use_cell_mapping, use_virial - | ^ -note: 'use_cell_mapping' was declared here -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-amd64\"" -D__COMPILE_REVISION="\"git:9635df4\"" -D__DATA_DIR="\"/usr/share/cp2k\"" -D__SHORT_FILE__="\"admm_utils.F\"" -I'/build/reproducible-path/cp2k-2025.1/src/' admm_utils.F90 /build/reproducible-path/cp2k-2025.1/src/qs_overlap.F:868:50: 868 | !$OMP REDUCTION (+ : virial_thread, force_thread ) @@ -55095,21 +55125,32 @@ 803 | use_cell_mapping, use_virial | ^ note: 'use_cell_mapping' 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="\"Sun Apr 13 06:29:58 +14 2025\"" -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/src/smeagol_matrix_utils.F:729:22: + + 729 | reorder_recv_buffer(offset_send_mepos + 1:offset_send_mepos + ncols_local) = & + | ^ +Warning: 'irow_proc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:430:69: + + 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 '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="\"Fri May 15 10:04:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'ewalds_multipole.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="\"Fri May 15 10:04:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:59 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:59 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:29:59 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/smeagol_matrix_utils.F:289:10: 289 | IF (nrows_local == 0) nrows_local = 1 @@ -55130,34 +55171,14 @@ 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 '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="\"Fri May 15 10:04:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 -/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:135:77: - - 135 | INTEGER :: cindex, curr_tasks, handle, i, iatom, iatom_old, igrid_level, igrid_level_old, & - | ^ -note: 'igrid_level' 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="\"Fri May 15 10:04:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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:560: update target 'smeagol_matrix_utils.mod' due to: target does not exist -true /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:560: update target 'task_list_methods.mod' due to: target does not exist +/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 /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))) @@ -55338,6 +55359,27 @@ 141 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: achint, acint, alkint, bchint, bcint, & | ^ note: 'alkint.dim[2].lbound' 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="\"Sun Apr 13 06:30:00 +14 2025\"" -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/Makefile:560: update target 'smeagol_matrix_utils.mod' due to: target does not exist +true +/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/Makefile:560: update target 'xc_derivatives.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/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:135:77: + + 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: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_kinetic.F:244:10: 244 | IF (dokp) THEN @@ -55358,6 +55400,24 @@ 176 | trans, use_cell_mapping, use_virial | ^ note: 'use_cell_mapping' was declared here +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:30:03 +14 2025\"" -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="\"Sun Apr 13 06:30:03 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:30:03 +14 2025\"" -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 +/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: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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kinetic.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:30:03 +14 2025\"" -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 'xc_write_output.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:560: update target 'task_list_methods.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 @@ -55388,36 +55448,12 @@ 303 | INTEGER :: handle, igr, ik, ikk, ngr, niogrp, nkp, & | ^ note: 'ngr' declared here -/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 '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/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 'fist_pol_scf.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: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 -/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:560: update target 'qs_kinetic.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:04:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:04:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'kpoint_methods.mod' due to: target does not exist -true /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 'atom_output.mod' due to: target does not exist true +/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 'core_ppl.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/commutator_rpnl.F:1941:69: @@ -55448,14 +55484,20 @@ /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="\"Fri May 15 10:05:07 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:07 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:07 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:30:21 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:30:21 +14 2025\"" -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="\"Sun Apr 13 06:30:21 +14 2025\"" -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 /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="\"Fri May 15 10:05:08 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:30:23 +14 2025\"" -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/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 '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 /build/reproducible-path/cp2k-2025.1/src/hfx_libint_interface.F:259:37: 259 | factor = factor*S1234*SQRT(tmp) @@ -55466,20 +55508,12 @@ 92 | REAL(KIND=dp) :: AB(3), AB2, CD(3), CD2, den, Eta, EtaInv, factor, G(3), num, omega2, & | ^ 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 '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="\"Fri May 15 10:05:08 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:30:24 +14 2025\"" -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="\"Fri May 15 10:05:09 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'core_ppnl.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:30:25 +14 2025\"" -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:1068:27: 1068 | REAL(KIND=dp) :: ch_i, ch_j, ef0_i, ef0_j, eloc, energy, fac, fac_ij, ir, irab2, r, tij, & @@ -55490,15 +55524,27 @@ 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 'core_ppnl.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 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 '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="\"Sun Apr 13 06:30:55 +14 2025\"" -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="\"Sun Apr 13 06:30:55 +14 2025\"" -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 '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="\"Fri May 15 10:05:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:31:01 +14 2025\"" -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) @@ -55519,24 +55565,26 @@ 297 | G_1, G_c, gr, zet_a, zet_b, zet_c, zet_d, zet_div, zet_max_tmp | ^ note: 'zet_a' declared here +/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_xpbe_hole_t_c_lr.o xc_ke_gga.o xc_hcth.o xc_lyp_adiabatic.o xc_xalpha.o xc_rho_cflags_types.o xc_xlda_hole_t_c_lr.o xc_xbeef.o xc_thomas_fermi.o xc_derivative_set_types.o xc_optx.o xc_libxc.o xc_lyp.o xc_b97_fxc.o xc_derivatives.o xc_cs1.o xc_vwn.o xc_xbecke88_long_range.o xc_xbecke88.o xc_tpss.o xc_perdew_wang.o xc_pbe.o xc_perdew86.o xc_xbr_pbe_lda_hole_t_c_lr.o cp_linked_list_xc_deriv.o xc_derivative_desc.o xc_xwpbe.o xc_perdew_zunger.o xc_xbecke_roussel.o xc_functionals_utilities.o xc_input_constants.o xc_tfw.o xc_derivative_types.o xc_pade.o xc_util.o xc.o xc_b97.o xc_libxc_wrap.o xc_exchange_gga.o xc_atom.o xc_rho_set_types.o xc_xbecke88_lr_adiabatic.o +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a +/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 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'eri_mme_error_control.mod' due to: target does not exist 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="\"Fri May 15 10:05:25 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:31:04 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:04 +14 2025\"" -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 '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="\"Fri May 15 10:05:25 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:05:25 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:25 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:31:05 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_integrate.F:718:39: 718 | /vol*mone_lb @@ -55562,22 +55610,11 @@ 93 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: S_G | ^ Warning: 's_g.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/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 'eri_mme_integrate.mod' due to: target does not exist 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="\"Fri May 15 10:05:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_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_thomas_fermi.o xc_xbecke88.o xc_tpss.o xc_xlda_hole_t_c_lr.o xc_xbecke_roussel.o xc.o xc_input_constants.o xc_exchange_gga.o xc_xwpbe.o xc_xalpha.o xc_atom.o xc_derivatives.o xc_functionals_utilities.o xc_ke_gga.o xc_lyp.o xc_derivative_desc.o xc_rho_set_types.o xc_xbeef.o xc_perdew_wang.o xc_fxc_kernel.o xc_tfw.o xc_perdew86.o xc_derivative_set_types.o xc_rho_cflags_types.o xc_xbecke88_lr_adiabatic.o xc_xpbe_hole_t_c_lr.o xc_pbe.o xc_lyp_adiabatic.o xc_util.o xc_cs1.o cp_linked_list_xc_deriv.o xc_derivative_types.o xc_xbr_pbe_lda_hole_t_c_lr.o xc_optx.o xc_b97_fxc.o xc_perdew_zunger.o xc_vwn.o xc_hcth.o xc_b97.o xc_libxc.o xc_pade.o xc_xbecke88_long_range.o xc_libxc_wrap.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kxc.a -/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:08 +14 2025\"" -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:77:73: 77 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :, :) :: I_diff, I_ref, I_test @@ -55586,17 +55623,21 @@ /build/reproducible-path/cp2k-2025.1/src/eri_mme/eri_mme_test.F:77:73: 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:77:73: 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:77:73: Warning: 'i_ref.dim[3].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="\"Fri May 15 10:05:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'eri_mme_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/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_util.o eri_mme_error_control.o eri_mme_test.o eri_mme_types.o eri_mme_lattice_summation.o eri_mme_gaussian.o eri_mme_integrate.o -ar: creating /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_types.o eri_mme_util.o eri_mme_test.o eri_mme_lattice_summation.o eri_mme_gaussian.o eri_mme_integrate.o eri_mme_error_control.o /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="\"Fri May 15 10:05:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2keri_mme.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="\"Sun Apr 13 06:31:14 +14 2025\"" -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_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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:14 +14 2025\"" -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/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 @@ -55607,10 +55648,30 @@ /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="\"Fri May 15 10:05:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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:454:66: + + 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:454:75: + + 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="\"Sun Apr 13 06:31:15 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:15 +14 2025\"" -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="\"Sun Apr 13 06:31:15 +14 2025\"" -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="\"Sun Apr 13 06:31:15 +14 2025\"" -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 /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 @@ -55627,39 +55688,66 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qmmm_elpot.F qmmm_elpot.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qmmm_per_elpot.o' 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_per_elpot.F 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="\"Sun Apr 13 06:31:17 +14 2025\"" -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 /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="\"Fri May 15 10:05:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:17 +14 2025\"" -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="\"Sun Apr 13 06:31:17 +14 2025\"" -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="\"Sun Apr 13 06:31:17 +14 2025\"" -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="\"Sun Apr 13 06:31:17 +14 2025\"" -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="\"Sun Apr 13 06:31:17 +14 2025\"" -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="\"Sun Apr 13 06:31:17 +14 2025\"" -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="\"Sun Apr 13 06:31:17 +14 2025\"" -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/Makefile:560: update target 'input_cp2k_qmmm.mod' due to: target does not exist +true /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 'input_cp2k_qmmm.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:560: update target 'qmmm_elpot.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 '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 /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/hfx_pair_list_methods.F 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="\"Sun Apr 13 06:31:18 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mp2_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/mp2_setup.F 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="\"Sun Apr 13 06:31:18 +14 2025\"" -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/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:137:66: + + 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:137:75: + + 137 | need_x, need_xc, need_zmp + | ^ +note: 'need_xc' was declared here /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 +/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_topology_util.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:18 +14 2025\"" -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 +/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 'input_cp2k_mp2.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/qmmm_per_elpot.F:184:54: 184 | LG(idim) = fs*LG(idim)*1.0_dp/Vol @@ -55670,28 +55758,18 @@ 98 | REAL(KIND=dp) :: Ak, alpha, box(3), Fac(3), fs, g, g2, & | ^ note: 'fs' 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="\"Fri May 15 10:05:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'input_cp2k_mp2.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:18 +14 2025\"" -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/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 'atom_xc.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="\"Sun Apr 13 06:31:21 +14 2025\"" -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 +/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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'qmmm_per_elpot.mod' due to: target does not exist true /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 'atom_electronic_structure.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/hfx_pair_list_methods.F:297:46: 297 | factor = factor*S1234*SQRT(tmp) @@ -55742,47 +55820,27 @@ 2557 | ewald_rcut, rmin, rmin2_a, rmin2_b | ^ note: 'rmin2_b' 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:454:66: - - 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:454:75: - - 454 | need_x, need_xc - | ^ -note: 'need_xc' was declared here /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="\"Fri May 15 10:05:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:23 +14 2025\"" -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 'topology_util.mod' due to: target does not exist true /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="\"Fri May 15 10:05:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:31:24 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:24 +14 2025\"" -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 /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="\"Fri May 15 10:05:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:24 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:24 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1896:59: 1896 | atm_symbol = id2str(atom_info%id_element(i)) @@ -55813,61 +55871,6 @@ 2337 | total_bins | ^ note: 'total_bins' was declared here -/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:137:66: - - 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:137:75: - - 137 | need_x, need_xc, need_zmp - | ^ -note: 'need_xc' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1655:34: - - 1655 | ind = wrk(i)%array1(j) - | ^ -Warning: 'wrk.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1600:63: - - 1600 | TYPE(array1_list_type), DIMENSION(:), POINTER :: wrk - | ^ -note: 'wrk.data' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1655:34: - - 1655 | ind = wrk(i)%array1(j) - | ^ -Warning: 'wrk.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1600:63: - - 1600 | TYPE(array1_list_type), DIMENSION(:), POINTER :: wrk - | ^ -note: 'wrk.offset' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1655:34: - - 1655 | ind = wrk(i)%array1(j) - | ^ -Warning: 'wrk.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1600:63: - - 1600 | TYPE(array1_list_type), DIMENSION(:), POINTER :: wrk - | ^ -note: 'wrk.dim[0].stride' 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/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="\"Fri May 15 10:05:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/hfx_get_pmax_val.fypp:230:54: 230 | pmax_val = MAX(pmax_1 + pmax_2, pmax_3 + pmax_4) @@ -56038,8 +56041,40 @@ 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 'input_cp2k_atom.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1655:34: + + 1655 | ind = wrk(i)%array1(j) + | ^ +Warning: 'wrk.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1600:63: + + 1600 | TYPE(array1_list_type), DIMENSION(:), POINTER :: wrk + | ^ +note: 'wrk.data' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1655:34: + + 1655 | ind = wrk(i)%array1(j) + | ^ +Warning: 'wrk.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1600:63: + + 1600 | TYPE(array1_list_type), DIMENSION(:), POINTER :: wrk + | ^ +note: 'wrk.offset' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1655:34: + + 1655 | ind = wrk(i)%array1(j) + | ^ +Warning: 'wrk.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:1600:63: + + 1600 | TYPE(array1_list_type), DIMENSION(:), POINTER :: wrk + | ^ +note: 'wrk.dim[0].stride' 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/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/src/topology_generate_util.F:1177:22: 1177 | IF (do_it > 0) THEN @@ -56050,16 +56085,7 @@ 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 '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="\"Fri May 15 10:05:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'atom_electronic_structure.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:27 +14 2025\"" -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_load_balance_methods.F:1542:58: 1542 | bin_histogram(my_process_id + 1, 1) = my_bin_size @@ -56070,10 +56096,6 @@ 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 '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 '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 @@ -56082,7 +56104,6 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/voronoi_interface.F voronoi_interface.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'moments_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/moments_utils.F 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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'dkh_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/dkh_main.F dkh_main.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pw_env_methods.o' due to: target does not exist @@ -56091,106 +56112,77 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/optimize_dmfet_potential.F optimize_dmfet_potential.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_collocate_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_collocate_density.F qs_collocate_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="\"Sun Apr 13 06:31:27 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_integrate_potential_single.o' due 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_single.F qs_integrate_potential_single.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cp_dbcsr_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/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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:31:27 +14 2025\"" -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 /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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:31:27 +14 2025\"" -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 /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 /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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:31:27 +14 2025\"" -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="\"Sun Apr 13 06:31:27 +14 2025\"" -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 /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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:27 +14 2025\"" -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="\"Sun Apr 13 06:31:27 +14 2025\"" -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_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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:27 +14 2025\"" -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 '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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:31:27 +14 2025\"" -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="\"Sun Apr 13 06:31:27 +14 2025\"" -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 /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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="\"Sun Apr 13 06:31:27 +14 2025\"" -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 /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="\"Sun Apr 13 06:31:27 +14 2025\"" -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="\"Sun Apr 13 06:31:27 +14 2025\"" -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 /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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:31:27 +14 2025\"" -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="\"Sun Apr 13 06:31:28 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:28 +14 2025\"" -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="\"Sun Apr 13 06:31:28 +14 2025\"" -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 /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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:31:28 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:28 +14 2025\"" -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="\"Sun Apr 13 06:31:28 +14 2025\"" -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="\"Sun Apr 13 06:31:28 +14 2025\"" -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_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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:28 +14 2025\"" -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 '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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:31:28 +14 2025\"" -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 '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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:31:28 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:28 +14 2025\"" -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 /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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:31:28 +14 2025\"" -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 /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="\"Sun Apr 13 06:31:29 +14 2025\"" -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 /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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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:578:95: - - 578 | ksign, my_maxrad, r2, r2_min, rbond, & - | ^ -note: 'rbond' 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 /build/reproducible-path/cp2k-2025.1/src/dkh_main.F:101:37: 101 | SUBROUTINE DKH_full_transformation(qs_env, matrix_s, matrix_v, matrix_t, matrix_pVp, n, dkh_order) @@ -56201,42 +56193,35 @@ 713 | SUBROUTINE even4a(n, ev4, e1, pe1p, vv, gg) | ^ Warning: 'even4a' 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="\"Fri May 15 10:05:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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:231:71: - - 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_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 +/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="\"Sun Apr 13 06:31:29 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/voronoi_interface.F:70:24: 70 | INTEGER :: step_count = 0 | 1 Warning: Unused PRIVATE module variable 'step_count' declared at (1) [-Wunused-value] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Sun Apr 13 06:31:29 +14 2025\"" -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 +/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="\"Sun Apr 13 06:31:29 +14 2025\"" -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 +/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/src/voronoi_interface.F:832:34: 832 | SUBROUTINE molecular_properties(subsys, cell, sim_step, sim_time, iounit, & | ^ Warning: 'molecular_properties' 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="\"Fri May 15 10:05:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:05:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:29 +14 2025\"" -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="\"Sun Apr 13 06:31:29 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:29 +14 2025\"" -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 +/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="\"Sun Apr 13 06:31:30 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:1508:13: 1508 | IF (jatom /= last_jatom) THEN @@ -56247,32 +56232,30 @@ 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/src/cp_dbcsr_output.F:238:10: +/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 +/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:175:86: + 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:231:71: - 175 | LOGICAL :: my_omit_headers, print_sym - | ^ -note: 'print_sym' 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="\"Fri May 15 10:05:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:05:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -/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="\"Fri May 15 10:05:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 + 231 | TYPE(section_vals_type), POINTER :: dft_section + | ^ +note: 'dft_section' was declared here +/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:578:95: + + 578 | ksign, my_maxrad, r2, r2_min, rbond, & + | ^ +note: 'rbond' 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/src/pw_env_methods.F:833:16: 833 | IF (igrid_zet0_s == igrid_level) maxradius = MAX(maxradius, max_rpgf0_s) @@ -56283,36 +56266,10 @@ 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="\"Fri May 15 10:05:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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:1043:73: - - 1043 | INTEGER :: border_points, handle - | ^ -note: 'border_points' declared here -/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)) - | ^ -Warning: 'ilast' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:191:14: - - 191 | ilast, inum, istart, itype, iw, j, jump1, jump2, last, max_mol_num, mol_num, mol_res, & - | ^ -note: 'ilast' 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="\"Fri May 15 10:05:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:30 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:30 +14 2025\"" -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/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/qs_rho0_methods.F:193:74: 193 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as @@ -56323,32 +56280,43 @@ 193 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: cpc_ah, cpc_as | ^ Warning: 'cpc_ah.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="\"Fri May 15 10:05:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:30 +14 2025\"" -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/src/pw_env_methods.F:1061:45: - 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: + 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:1043:73: - 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: + 1043 | INTEGER :: border_points, handle + | ^ +note: 'border_points' declared here +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:30 +14 2025\"" -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 +/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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:31 +14 2025\"" -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/cp_dbcsr_output.F:238:10: - 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: + 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:175:86: - 739 | filename = mpi_filename - | 1 -Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] + 175 | LOGICAL :: my_omit_headers, print_sym + | ^ +note: 'print_sym' 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="\"Sun Apr 13 06:31:31 +14 2025\"" -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/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="\"Sun Apr 13 06:31:31 +14 2025\"" -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 +/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/src/qs_integrate_potential_single.F:996:98: 996 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: h_block, hab, hmat, p_block, pab, pblk, & @@ -56394,6 +56362,10 @@ 996 | REAL(KIND=dp), DIMENSION(:, :), POINTER :: h_block, hab, hmat, p_block, pab, pblk, & | ^ note: 'pblk.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="\"Sun Apr 13 06:31:31 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:31 +14 2025\"" -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 +/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 /build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:1221:13: 1221 | IF (jatom /= last_jatom) THEN @@ -56404,15 +56376,58 @@ 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="\"Sun Apr 13 06:31:31 +14 2025\"" -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 +/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="\"Sun Apr 13 06:31:32 +14 2025\"" -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/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 +/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)) + | ^ +Warning: 'ilast' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_generate_util.F:191:14: + + 191 | ilast, inum, istart, itype, iw, j, jump1, jump2, last, max_mol_num, mol_num, mol_res, & + | ^ +note: 'ilast' 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="\"Sun Apr 13 06:31:32 +14 2025\"" -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/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] +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:34 +14 2025\"" -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_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/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:34 +14 2025\"" -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 /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="\"Fri May 15 10:05:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:940:13: 940 | IF (jatom /= last_jatom) THEN @@ -56423,32 +56438,13 @@ 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="\"Sun Apr 13 06:31:34 +14 2025\"" -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/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:34 +14 2025\"" -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="\"Sun Apr 13 06:31:34 +14 2025\"" -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 /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_neighbor_lists.F:1175:53: - - 1175 | CPABORT("") - | ^ -Warning: 'otype' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_lists.F:1051:57: - - 1051 | kcell, maxat, mol_a, mol_b, nkind, otype, natom, inode, nnode, nentry - | ^ -note: 'otype' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_lists.F:1343:43: - - 1343 | IF (mol_a /= mol_b) CYCLE - | ^ -Warning: 'mol_b' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_lists.F:1051:43: - - 1051 | kcell, maxat, mol_a, mol_b, nkind, otype, natom, inode, nnode, nentry - | ^ -note: 'mol_b' was declared here /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)) @@ -56489,10 +56485,29 @@ 120 | nb1, nb2, ncoa, ncob, nimages, nkind, nseta, nsetb, nthread, sgfa, sgfb | ^ note: 'sgfb' 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/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="\"Sun Apr 13 06:31:35 +14 2025\"" -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("") + | ^ +Warning: 'otype' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_lists.F:1051:57: + + 1051 | kcell, maxat, mol_a, mol_b, nkind, otype, natom, inode, nnode, nentry + | ^ +note: 'otype' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_lists.F:1343:43: + + 1343 | IF (mol_a /= mol_b) CYCLE + | ^ +Warning: 'mol_b' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_neighbor_lists.F:1051:43: + + 1051 | kcell, maxat, mol_a, mol_b, nkind, otype, natom, inode, nnode, nentry + | ^ +note: 'mol_b' was declared here +/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_collocate_density.F:2150:10: 2150 | IF (distributed_rs_grids) THEN @@ -56503,7 +56518,21 @@ 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="\"Fri May 15 10:05:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:35 +14 2025\"" -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 '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="\"Sun Apr 13 06:31:35 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:555:13: + + 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:451:97: + + 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="\"Sun Apr 13 06:31:35 +14 2025\"" -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/src/se_core_core.F:208:53: 208 | dr3inv = -3.0_dp*rij*r3inv*r2inv @@ -56524,46 +56553,54 @@ 91 | enuclear, r2inv, r3inv, rinv | ^ note: 'r3inv' 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="\"Fri May 15 10:05:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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 /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:35 +14 2025\"" -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 /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/src/qs_operators_ao.F:555:13: +/build/reproducible-path/cp2k-2025.1/src/qs_collocate_density.F:1765:10: - 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:451:97: + 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:1662:99: - 451 | INTEGER :: handle, i, iatom, icol, ikind, inode, irow, iset, jatom, jkind, jset, last_jatom, & - | ^ -note: 'last_jatom' was declared here + 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 '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="\"Sun Apr 13 06:31:36 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:36 +14 2025\"" -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 /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="\"Fri May 15 10:05:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:42 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:36 +14 2025\"" -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 '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="\"Fri May 15 10:05:42 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:36 +14 2025\"" -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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:42 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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 -/build/reproducible-path/cp2k-2025.1/src/qs_collocate_density.F:1765:10: +/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="\"Sun Apr 13 06:31:36 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:36 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/qs_operators_ao.F:188:13: - 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:1662:99: + 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:80:97: - 1662 | LOGICAL :: atom_pair_changed, distributed_rs_grids, & - | ^ -note: 'distributed_rs_grids' was declared here + 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 '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="\"Sun Apr 13 06:31:37 +14 2025\"" -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_sccs.F:853:63: 853 | !$OMP SHARED(ln_rho_max,rho_elec,q,rho_max,rho_min) @@ -56614,33 +56651,116 @@ 1079 | ln_rho_min, q, rho, t, x, y | ^ note: 'q' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_fb_distribution_methods.F:766:37: +/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/src/qs_gspace_mixing.F:435:34: - 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 '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/src/qs_operators_ao.F:188:13: + 435 | b(nb1, 1:nb) = -1.0_dp + | ^ +Warning: 'nb1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:287:86: - 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:80:97: + 287 | jb, n1, n2, natom, nb, nb1, nbuffer, & + | ^ +note: 'nb1' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:294:64: - 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 '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="\"Fri May 15 10:05:42 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:42 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:42 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 + 294 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: a, b, c, c_inv, cpc_h_mix, cpc_s_mix + | ^ +Warning: 'b.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:294:64: Warning: 'b.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:440:28: + + 440 | alpha_c = 0.0_dp + | ^ +Warning: 'alpha_c.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:293:67: + + 293 | REAL(dp), ALLOCATABLE, DIMENSION(:) :: alpha_c, ev + | ^ +note: 'alpha_c.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:444:56: + + 444 | norm_c_inv = norm_c_inv + c_inv(jb, i) + | ^ +Warning: 'norm_c_inv' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:291:85: + + 291 | inv_err, norm, norm_c_inv, res_norm, & + | ^ +note: 'norm_c_inv' 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="\"Sun Apr 13 06:31:37 +14 2025\"" -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/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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:37 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:37 +14 2025\"" -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 +/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/src/pao_potentials.F:119:76: + + 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab + | ^ +Warning: 'new_block_d.data' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:119:76: Warning: 'new_block_d.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:231:83: + + 231 | iset=iset, ishell=ishell, jset=jset, jshell=jshell) + | ^ +Warning: 'new_block_d.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:119:76: + + 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab + | ^ +note: 'new_block_d.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:231:83: + + 231 | iset=iset, ishell=ishell, jset=jset, jshell=jshell) + | ^ +Warning: 'new_block_d.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:119:76: + + 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab + | ^ +note: 'new_block_d.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:119:76: Warning: 'new_block_d.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="\"Sun Apr 13 06:31:37 +14 2025\"" -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 +/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 '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="\"Sun Apr 13 06:31:37 +14 2025\"" -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 +/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="\"Sun Apr 13 06:31:37 +14 2025\"" -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/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="\"Sun Apr 13 06:31:38 +14 2025\"" -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/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="\"Sun Apr 13 06:31:38 +14 2025\"" -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="\"Sun Apr 13 06:31:38 +14 2025\"" -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_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 +/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 +/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="\"Sun Apr 13 06:31:38 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:39 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:38 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:39 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/wannier_states.F:115:67: + + 115 | 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/qs_scf_csr_write.F:423:67: 423 | CALL dbcsr_convert_dbcsr_to_csr(cmatrix, mat_csr) @@ -56691,119 +56811,14 @@ 338 | rmatrix, rmatrix_nosym, tmatrix | ^ note: 'tmatrix' was declared here -/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 -/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="\"Fri May 15 10:05:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:05:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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] -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:05:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -/build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:119:76: - - 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab - | ^ -Warning: 'new_block_d.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:119:76: Warning: 'new_block_d.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:231:83: - - 231 | iset=iset, ishell=ishell, jset=jset, jshell=jshell) - | ^ -Warning: 'new_block_d.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:119:76: - - 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab - | ^ -note: 'new_block_d.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:231:83: - - 231 | iset=iset, ishell=ishell, jset=jset, jshell=jshell) - | ^ -Warning: 'new_block_d.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:119:76: - - 119 | REAL(dp), DIMENSION(:, :, :), POINTER :: dab, new_block_D, saab - | ^ -note: 'new_block_d.dim[1].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/pao_potentials.F:119:76: Warning: 'new_block_d.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/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 -/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="\"Fri May 15 10:05:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:435:34: - - 435 | b(nb1, 1:nb) = -1.0_dp - | ^ -Warning: 'nb1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:287:86: - - 287 | jb, n1, n2, natom, nb, nb1, nbuffer, & - | ^ -note: 'nb1' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:294:64: - - 294 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: a, b, c, c_inv, cpc_h_mix, cpc_s_mix - | ^ -Warning: 'b.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:294:64: Warning: 'b.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:440:28: - - 440 | alpha_c = 0.0_dp - | ^ -Warning: 'alpha_c.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:293:67: - - 293 | REAL(dp), ALLOCATABLE, DIMENSION(:) :: alpha_c, ev - | ^ -note: 'alpha_c.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:444:56: - - 444 | norm_c_inv = norm_c_inv + c_inv(jb, i) - | ^ -Warning: 'norm_c_inv' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:291:85: - - 291 | inv_err, norm, norm_c_inv, res_norm, & - | ^ -note: 'norm_c_inv' 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="\"Fri May 15 10:05:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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 /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="\"Fri May 15 10:05:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/src/wannier_states.F:115:67: - - 115 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: cmatrix, smatrix - | ^ -Warning: 'cmatrix.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] /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="\"Sun Apr 13 06:31:39 +14 2025\"" -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/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="\"Fri May 15 10:05:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:41 +14 2025\"" -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/src/qs_chargemol.F:580:64: 580 | DO imo = mos(roks_low)%homo + 1, mos(roks_high)%homo @@ -56854,25 +56869,74 @@ 867 | INTEGER FUNCTION pgf_type_chargemol(l_symb) RESULT(label) | ^ note: 'label' 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="\"Sun Apr 13 06:31:41 +14 2025\"" -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/src/qs_fb_distribution_methods.F:766:37: + + 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 '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/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 +/build/reproducible-path/cp2k-2025.1/src/qcschema.F:710:34: + + 710 | SUBROUTINE qcschema_update_fock(qcschema_env, active_space_env) + | ^ +Warning: 'qcschema_update_fock' 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="\"Sun Apr 13 06:31:41 +14 2025\"" -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: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="\"Sun Apr 13 06:31:42 +14 2025\"" -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 /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_all.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/src/qcschema.F:710:34: - - 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: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/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/Makefile:560: update target 'cp_dbcsr_output.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:492:97: + + 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/Makefile:560: update target 'qs_neighbor_lists.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 +/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 +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:43 +14 2025\"" -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:513: update target 'admm_dm_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_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 +/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/src/et_coupling.F:220:23: 220 | W_mat(1, 1) = Wbb @@ -56903,58 +56967,93 @@ 72 | REAL(KIND=dp) :: Sda, strength, Waa, Wbb, Wda | ^ note: 'strength' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pw_env_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="\"Fri May 15 10:05:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'optimize_dmfet_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="\"Fri May 15 10:05:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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/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 -/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 -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho0_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_core_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="\"Sun Apr 13 06:31:43 +14 2025\"" -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: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: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:247:66: + + 247 | REAL(KIND=dp) :: my_occ, occ_imo + | ^ +note: 'my_occ' was declared here +/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 /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 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_cnum.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:31:43 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_d2.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:43 +14 2025\"" -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_dispersion_utils.mod' due to: target does not exist true +/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/Makefile:560: update target 'qs_external_density.mod' due to: target does not exist true /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 true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'hartree_local_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="\"Sun Apr 13 06:31:44 +14 2025\"" -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/Makefile:560: update target 'hfx_communication.mod' due to: target does not exist true /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 +/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 '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/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:125:84: + + 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="\"Sun Apr 13 06:31:44 +14 2025\"" -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: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 /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:44 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:44 +14 2025\"" -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/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:401:88: + + 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:401:47: + + 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:560: update target 'preconditioner.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_sccs.mod' due to: target does not exist @@ -56971,59 +57070,6 @@ 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/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/Makefile:560: update target 'qs_basis_rotation_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gcp_utils.mod' due to: target does not exist -true -/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/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/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/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:492:97: - - 492 | 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="\"Fri May 15 10:05:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'pao_linpot_full.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_model.mod' due to: target does not exist -true -/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/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_dos.mod' due to: target does not exist -true -/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="\"Fri May 15 10:05:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /build/reproducible-path/cp2k-2025.1/src/qs_mixing_utils.F:120:80: 120 | max_shell, na, natom, nbuffer, nel, & @@ -57039,502 +57085,295 @@ 120 | max_shell, na, natom, nbuffer, nel, & | ^ note: 'max_shell' was declared here -/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="\"Fri May 15 10:05:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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/Makefile:560: update target 'qs_scf_csr_write.mod' due to: target does not exist -true -/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/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:247:66: - - 247 | REAL(KIND=dp) :: my_occ, occ_imo - | ^ -note: 'my_occ' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'trexio_utils.mod' due to: target does not exist -true -/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="\"Fri May 15 10:05:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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: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 'et_coupling.mod' due to: target does not exist -true -/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 -/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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_stda_types.mod' due to: target does not exist +/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/Makefile:560: update target 'qs_tddfpt2_assign.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="\"Sun Apr 13 06:31:45 +14 2025\"" -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: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 'rt_hfx_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_print_dft.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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:560: update target 'force_fields_util.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="\"Sun Apr 13 06:31:45 +14 2025\"" -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: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="\"Fri May 15 10:05:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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/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: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 'qs_collocate_density.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gcp_utils.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:05:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'admm_dm_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_dm_methods.F admm_dm_methods.F90 -/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:125:84: - - 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/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:401:88: - - 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:401:47: - - 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="\"Fri May 15 10:05:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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 -/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:82:19: - - 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/qs_fermi_contact.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_fermi_contact.F:83:19: - - 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/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/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:83:19: - - 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="\"Fri May 15 10:05:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/bse_iterative.F:995:24: - - 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 '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_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:487:83: - - 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: - - 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:487:83: - - 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 '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 -/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="\"Fri May 15 10:05:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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/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:645:98: - - 645 | REAL(KIND=dp) :: dedf, dr, dx, energy_cutoff, err, fval, & - | ^ -note: 'fval' 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="\"Fri May 15 10:05:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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/src/se_core_matrix.F:424:19: +/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/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/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:45 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/qs_gspace_mixing.F:685:108: - 424 | SUBROUTINE makeS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, S) - | ^ -Warning: 'makes' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/se_core_matrix.F:800:20: + 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:565:80: - 800 | SUBROUTINE makedS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, dS) - | ^ -Warning: 'makeds' 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="\"Fri May 15 10:05:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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 -/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: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="\"Fri May 15 10:05:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:50 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_elec_field.mod' due to: target does not exist + 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 'qs_diis.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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:45 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_potentials.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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_linpot_full.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_diis.mod' due to: target does not exist +/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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_model.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pao_potentials.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="\"Sun Apr 13 06:31:45 +14 2025\"" -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 'qs_nonscf_utils.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 +/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:560: update target 'mao_methods.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:45 +14 2025\"" -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:560: update target 'qs_chargemol.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:48 +14 2025\"" -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:560: update target 'qs_dos.mod' due to: target does not exist +true /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 /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/Makefile:560: update target 'qs_loc_dipole.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="\"Sun Apr 13 06:31:48 +14 2025\"" -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 +/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="\"Sun Apr 13 06:31:48 +14 2025\"" -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="\"Sun Apr 13 06:31:48 +14 2025\"" -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 '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="\"Sun Apr 13 06:31:48 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:48 +14 2025\"" -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: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="\"Fri May 15 10:05:51 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:51 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/topology_amber.F:596:34: - - 596 | ib(:) = ib(:)/3 + 1 - | ^ -Warning: 'ib.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:387:67: - - 387 | INTEGER, ALLOCATABLE, DIMENSION(:) :: iac, ib, ibh, icb, icbh, ico, icp, icph, & - | ^ -note: 'ib.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:590:36: - - 590 | ibh(:) = ibh(:)/3 + 1 - | ^ -Warning: 'ibh.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:387:72: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:48 +14 2025\"" -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:560: update target 'qs_scf_csr_write.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/lri_environment_methods.F:481:40: - 387 | INTEGER, ALLOCATABLE, DIMENSION(:) :: iac, ib, ibh, icb, icbh, ico, icp, icph, & - | ^ -note: 'ibh.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:624:34: + 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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:48 +14 2025\"" -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 '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 +/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="\"Sun Apr 13 06:31:49 +14 2025\"" -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 '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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:49 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1649:28: - 624 | ip(:) = ip(:)/3 + 1 - | ^ -Warning: 'ip.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:388:73: + 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="\"Sun Apr 13 06:31:49 +14 2025\"" -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 '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 +/build/reproducible-path/cp2k-2025.1/src/qs_elec_field.F:198:13: - 388 | ict, icth, ip, iph, ipres, it, ith, & - | ^ -note: 'ip.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:616:36: + 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:83:19: - 616 | iph(:) = iph(:)/3 + 1 - | ^ -Warning: 'iph.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:388:78: + 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="\"Sun Apr 13 06:31:49 +14 2025\"" -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 +/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 +/build/reproducible-path/cp2k-2025.1/src/qs_fermi_contact.F:195:13: - 388 | ict, icth, ip, iph, ipres, it, ith, & - | ^ -note: 'iph.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:609:34: + 195 | IF (jatom /= last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_fermi_contact.F:83:19: - 609 | it(:) = it(:)/3 + 1 - | ^ -Warning: 'it.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:388:89: + 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: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="\"Sun Apr 13 06:31:49 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/ri_environment_methods.F:632:23: - 388 | ict, icth, ip, iph, ipres, it, ith, & - | ^ -note: 'it.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:602:36: + 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:598:64: - 602 | ith(:) = ith(:)/3 + 1 - | ^ -Warning: 'ith.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:388:94: + 598 | LOGICAL :: symm + | ^ +note: 'symm' was declared here +/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/src/qs_spin_orbit.F:195:13: - 388 | ict, icth, ip, iph, ipres, it, ith, & - | ^ -note: 'ith.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:597:34: + 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:82:19: - 597 | jb(:) = jb(:)/3 + 1 - | ^ -Warning: 'jb.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:389:69: + 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="\"Sun Apr 13 06:31:49 +14 2025\"" -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 '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 +/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/src/qs_energy_window.F:136:15: - 389 | iwork, jb, jbh, jp, jph, jt, jth, kp, & - | ^ -note: 'jb.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:591:36: + 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] +/build/reproducible-path/cp2k-2025.1/src/se_core_matrix.F:424:19: - 591 | jbh(:) = jbh(:)/3 + 1 - | ^ -Warning: 'jbh.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:389:74: + 424 | SUBROUTINE makeS(R, nra, nrb, ZSA, ZSB, ZPA, ZPB, S) + | ^ +Warning: 'makes' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/se_core_matrix.F:800:20: - 389 | iwork, jb, jbh, jp, jph, jt, jth, kp, & - | ^ -note: 'jbh.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:625:34: + 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/src/xtb_potentials.F:713:89: - 625 | jp(:) = jp(:)/3 + 1 - | ^ -Warning: 'jp.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:389:78: + 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:645:98: - 389 | iwork, jb, jbh, jp, jph, jt, jth, kp, & - | ^ -note: 'jp.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:617:36: + 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_cdft_scf_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_epr_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="\"Sun Apr 13 06:31:50 +14 2025\"" -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/src/qs_scf_block_davidson.F:884:43: - 617 | jph(:) = jph(:)/3 + 1 - | ^ -Warning: 'jph.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:389:83: + 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:487:83: - 389 | iwork, jb, jbh, jp, jph, jt, jth, kp, & + 487 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set | ^ -note: 'jph.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:610:34: - - 610 | jt(:) = jt(:)/3 + 1 - | ^ -Warning: 'jt.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:389:87: - - 389 | iwork, jb, jbh, jp, jph, jt, jth, kp, & - | ^ -note: 'jt.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:603:36: - - 603 | jth(:) = jth(:)/3 + 1 - | ^ -Warning: 'jth.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:389:92: - - 389 | iwork, jb, jbh, jp, jph, jt, jth, kp, & - | ^ -note: 'jth.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:626:39: - - 626 | kp(:) = ABS(kp(:))/3 + 1 - | ^ -Warning: 'kp.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:389:96: +note: 'inotconv_set.dim[1].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_scf_block_davidson.F:885:42: - 389 | iwork, jb, jbh, jp, jph, jt, jth, kp, & - | ^ -note: 'kp.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:618:41: + 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:487:83: - 618 | kph(:) = ABS(kph(:))/3 + 1 - | ^ -Warning: 'kph.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:390:63: + 487 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: iconv_set, inotconv_set + | ^ +note: 'inotconv_set.offset' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_linres_nmr_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_stda_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_assign.mod' due to: target does not exist +true +/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:560: update target 'rt_propagation_forces.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1338:82: - 390 | kph, kt, kth, lp, lph - | ^ -note: 'kph.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:611:34: + 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:1259:65: - 611 | kt(:) = kt(:)/3 + 1 - | ^ -Warning: 'kt.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:390:67: + 1259 | ikind, ir, iunit, ix, iy, iz, jkind, & + | ^ +note: 'ikind' was declared here +/build/reproducible-path/cp2k-2025.1/src/pao_ml_descriptor.F:111:67: - 390 | kph, kt, kth, lp, lph + 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs | ^ -note: 'kt.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:604:36: - - 604 | kth(:) = kth(:)/3 + 1 - | ^ -Warning: 'kth.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:390:72: - - 390 | kph, kt, kth, lp, lph - | ^ -note: 'kth.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:627:39: - - 627 | lp(:) = ABS(lp(:))/3 + 1 - | ^ -Warning: 'lp.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:390:76: - - 390 | kph, kt, kth, lp, lph - | ^ -note: 'lp.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:619:41: - - 619 | lph(:) = ABS(lph(:))/3 + 1 - | ^ -Warning: 'lph.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:390:81: - - 390 | kph, kt, kth, lp, lph - | ^ -note: 'lph.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:573:72: - - 573 | ALLOCATE (amb_info%raw_torsion_phi0(nptra), source=phase) - | ^ -Warning: 'phase.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:393:87: - - 393 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: asol, bsol, cn1, cn2, phase, pk, pn, & - | ^ -note: 'phase.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:559:66: - - 559 | ALLOCATE (amb_info%raw_torsion_k(nptra), source=pk) - | ^ -Warning: 'pk.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:393:91: - - 393 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: asol, bsol, cn1, cn2, phase, pk, pn, & - | ^ -note: 'pk.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:566:66: - - 566 | ALLOCATE (amb_info%raw_torsion_m(nptra), source=pn) - | ^ -Warning: 'pn.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:393:95: - - 393 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: asol, bsol, cn1, cn2, phase, pk, pn, & - | ^ -note: 'pn.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="\"Fri May 15 10:05:51 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:51 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_gspace_mixing.F:685:108: +Warning: 'block_m.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pao_ml_descriptor.F:159:28: - 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:565:80: + 159 | block_M = 0.0_dp + | ^ +Warning: 'block_m.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/pao_ml_descriptor.F:111:67: - 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_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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'kpoint_coulomb_2c.mod' due to: target does not exist + 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs + | ^ +note: 'block_m.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/pao_ml_descriptor.F:111:67: Warning: 'block_m.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/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 'mp2_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="\"Sun Apr 13 06:31:50 +14 2025\"" -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 +/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 'qcschema.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt_types.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 +/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/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:50 +14 2025\"" -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="\"Sun Apr 13 06:31:50 +14 2025\"" -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 '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: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="\"Sun Apr 13 06:31:50 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:50 +14 2025\"" -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/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:50 +14 2025\"" -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/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:51 +14 2025\"" -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 +/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/src/xtb_potentials.F:316:44: 316 | fdik = fdika + fdikb @@ -57555,120 +57394,14 @@ 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="\"Fri May 15 10:05:51 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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: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_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="\"Fri May 15 10:05:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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:560: update target 'qmmmx_types.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_efield_methods.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/ec_external.F:621:29: - - 621 | SUBROUTINE matrix_w_forces(qs_env, matrix_w, unit_nr) - | ^ -Warning: 'matrix_w_forces' 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="\"Fri May 15 10:05:54 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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 +/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="\"Sun Apr 13 06:31:51 +14 2025\"" -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="\"Sun Apr 13 06:31:51 +14 2025\"" -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/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 '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/force_fields_input.F:1335:20: - - 1335 | CPASSERT(np1 - 1 <= 10) - | ^ -Warning: 'np1' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1184:92: - - 1184 | INTEGER :: i, ir, isec, n_items, n_rep, np1, np2 - | ^ -note: 'np1' 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="\"Fri May 15 10:05:54 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Fri May 15 10:05:54 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'se_fock_matrix_coulomb.mod' due to: target does not exist -true -/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_mixing_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:1238:65: - - 1238 | REAL(KIND=dp) :: alpha - | ^ -note: 'alpha' 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="\"Fri May 15 10:05:54 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:54 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_scf_block_davidson.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 -true -/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 -/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="\"Fri May 15 10:05:54 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'molecular_dipoles.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/lri_environment_methods.F:481:40: - - 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="\"Fri May 15 10:05:54 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xray_diffraction.mod' due to: target does not exist +/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 '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: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="\"Fri May 15 10:05:54 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:54 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 -/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="\"Fri May 15 10:05:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/ri_environment_methods.F:632:23: - - 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:598:64: - - 598 | LOGICAL :: symm - | ^ -note: 'symm' was declared here /build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:1280:116: 1280 | habc_uncontr_d(ico, jco, kcoz)] @@ -57789,8 +57522,6 @@ 1116 | hadbc_uncontr, hdabc_contr, & | ^ note: 'hadbc_uncontr.dim[3].stride' was declared here -/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 /build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:1364:71: 1364 | ncoa, ncob, ncoc, nsgfa, nsgfb, nsgfc) @@ -58056,50 +57787,499 @@ 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/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="\"Sun Apr 13 06:31:51 +14 2025\"" -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/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 +/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 +/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="\"Sun Apr 13 06:31:52 +14 2025\"" -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="\"Sun Apr 13 06:31:52 +14 2025\"" -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/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="\"Sun Apr 13 06:31:52 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:54 +14 2025\"" -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="\"Sun Apr 13 06:31:54 +14 2025\"" -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:560: update target 'se_core_matrix.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xtb_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="\"Sun Apr 13 06:31:54 +14 2025\"" -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: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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_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="\"Sun Apr 13 06:31:55 +14 2025\"" -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 'qs_scf_block_davidson.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 +true +/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:560: update target 'qs_loc_utils.mod' due to: target does not exist +true +/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 +/build/reproducible-path/cp2k-2025.1/src/ec_external.F:621:29: + + 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 'population_analyses.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:55 +14 2025\"" -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 'molecular_states.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1094:82: + + 1094 | 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:1009:59: + + 1009 | INTEGER :: ewald_type, handle, i, iac, iar, ic, ikind, info, ir, iunit, iv, ix, iy, iz, & + | ^ +note: 'ikind' was declared here +/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1132:50: + + 1132 | grc2 = erf(gab(ikind, jkind)*dr)/dr + | ^ +Warning: 'dr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1013:86: + + 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 'stm_images.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 'rpa_communication.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: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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'admm_dm_methods.mod' due to: target does not exist -true +/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:822:79: + + 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="\"Fri May 15 10:05:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'qs_rho_atom_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="\"Fri May 15 10:05:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:56 +14 2025\"" -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/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:767:93: + + 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:767:99: + + 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:560: update target 'qs_core_hamiltonian.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_pw_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="\"Sun Apr 13 06:31:56 +14 2025\"" -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 'ri_environment_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="\"Sun Apr 13 06:31:56 +14 2025\"" -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 /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="\"Fri May 15 10:05:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'se_core_matrix.mod' due to: target does not exist +/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 'optbas_opt_utils.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'input_cp2k_xas.mod' due to: target does not exist +/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="\"Sun Apr 13 06:31:56 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:56 +14 2025\"" -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 'fist_efield_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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:56 +14 2025\"" -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: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 +/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1132:22: + + 1132 | IF (in_z*in_y*in_x == 0) CYCLE + | ^ +Warning: 'in_x' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1026:71: + + 1026 | ikind, in_x, in_y, in_z, jx, jy, jz, & + | ^ +note: 'in_x' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1132:22: + + 1132 | IF (in_z*in_y*in_x == 0) CYCLE + | ^ +Warning: 'in_y' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1026:77: + + 1026 | ikind, in_x, in_y, in_z, jx, jy, jz, & + | ^ +note: 'in_y' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1132:22: + + 1132 | IF (in_z*in_y*in_x == 0) CYCLE + | ^ +Warning: 'in_z' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1026:83: + + 1026 | ikind, in_x, in_y, in_z, jx, jy, jz, & + | ^ +note: 'in_z' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1094:25: + + 1094 | IF (dist(m) > rmax - delta) not_in_range(m, 2) = .TRUE. + | ^ +Warning: 'rmax' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1030:87: + + 1030 | REAL(KIND=dp) :: delta, dh(3, 3), r(3), rmax, rmin, & + | ^ +note: 'rmax' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1093:25: + + 1093 | IF (dist(m) < rmin + delta) not_in_range(m, 1) = .TRUE. + | ^ +Warning: 'rmin' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1030:93: + + 1030 | REAL(KIND=dp) :: delta, dh(3, 3), r(3), rmax, rmin, & + | ^ +note: 'rmin' was declared here +/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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gspace_mixing.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:57 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:57 +14 2025\"" -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 +/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:560: update target 'xtb_hab_force.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kernel_types.mod' due to: target does not exist +/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 +/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 'qs_ot.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ec_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="\"Sun Apr 13 06:31:57 +14 2025\"" -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 +/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/src/topology_amber.F:596:34: + + 596 | ib(:) = ib(:)/3 + 1 + | ^ +Warning: 'ib.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:387:67: + + 387 | INTEGER, ALLOCATABLE, DIMENSION(:) :: iac, ib, ibh, icb, icbh, ico, icp, icph, & + | ^ +note: 'ib.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:590:36: + + 590 | ibh(:) = ibh(:)/3 + 1 + | ^ +Warning: 'ibh.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:387:72: + + 387 | INTEGER, ALLOCATABLE, DIMENSION(:) :: iac, ib, ibh, icb, icbh, ico, icp, icph, & + | ^ +note: 'ibh.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:624:34: + + 624 | ip(:) = ip(:)/3 + 1 + | ^ +Warning: 'ip.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:388:73: + + 388 | ict, icth, ip, iph, ipres, it, ith, & + | ^ +note: 'ip.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:616:36: + + 616 | iph(:) = iph(:)/3 + 1 + | ^ +Warning: 'iph.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:388:78: + + 388 | ict, icth, ip, iph, ipres, it, ith, & + | ^ +note: 'iph.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:609:34: + + 609 | it(:) = it(:)/3 + 1 + | ^ +Warning: 'it.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:388:89: + + 388 | ict, icth, ip, iph, ipres, it, ith, & + | ^ +note: 'it.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:602:36: + + 602 | ith(:) = ith(:)/3 + 1 + | ^ +Warning: 'ith.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:388:94: + + 388 | ict, icth, ip, iph, ipres, it, ith, & + | ^ +note: 'ith.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:597:34: + + 597 | jb(:) = jb(:)/3 + 1 + | ^ +Warning: 'jb.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:389:69: + + 389 | iwork, jb, jbh, jp, jph, jt, jth, kp, & + | ^ +note: 'jb.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:591:36: + + 591 | jbh(:) = jbh(:)/3 + 1 + | ^ +Warning: 'jbh.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:389:74: + + 389 | iwork, jb, jbh, jp, jph, jt, jth, kp, & + | ^ +note: 'jbh.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:625:34: + + 625 | jp(:) = jp(:)/3 + 1 + | ^ +Warning: 'jp.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:389:78: + + 389 | iwork, jb, jbh, jp, jph, jt, jth, kp, & + | ^ +note: 'jp.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:617:36: + + 617 | jph(:) = jph(:)/3 + 1 + | ^ +Warning: 'jph.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:389:83: + + 389 | iwork, jb, jbh, jp, jph, jt, jth, kp, & + | ^ +note: 'jph.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:610:34: + + 610 | jt(:) = jt(:)/3 + 1 + | ^ +Warning: 'jt.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:389:87: + + 389 | iwork, jb, jbh, jp, jph, jt, jth, kp, & + | ^ +note: 'jt.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:603:36: + + 603 | jth(:) = jth(:)/3 + 1 + | ^ +Warning: 'jth.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:389:92: + + 389 | iwork, jb, jbh, jp, jph, jt, jth, kp, & + | ^ +note: 'jth.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:626:39: + + 626 | kp(:) = ABS(kp(:))/3 + 1 + | ^ +Warning: 'kp.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:389:96: + + 389 | iwork, jb, jbh, jp, jph, jt, jth, kp, & + | ^ +note: 'kp.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:618:41: + + 618 | kph(:) = ABS(kph(:))/3 + 1 + | ^ +Warning: 'kph.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:390:63: + + 390 | kph, kt, kth, lp, lph + | ^ +note: 'kph.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:611:34: + + 611 | kt(:) = kt(:)/3 + 1 + | ^ +Warning: 'kt.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:390:67: + + 390 | kph, kt, kth, lp, lph + | ^ +note: 'kt.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:604:36: + + 604 | kth(:) = kth(:)/3 + 1 + | ^ +Warning: 'kth.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:390:72: + + 390 | kph, kt, kth, lp, lph + | ^ +note: 'kth.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:627:39: + + 627 | lp(:) = ABS(lp(:))/3 + 1 + | ^ +Warning: 'lp.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:390:76: + + 390 | kph, kt, kth, lp, lph + | ^ +note: 'lp.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:619:41: + + 619 | lph(:) = ABS(lph(:))/3 + 1 + | ^ +Warning: 'lph.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:390:81: + + 390 | kph, kt, kth, lp, lph + | ^ +note: 'lph.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:573:72: + + 573 | ALLOCATE (amb_info%raw_torsion_phi0(nptra), source=phase) + | ^ +Warning: 'phase.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:393:87: + + 393 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: asol, bsol, cn1, cn2, phase, pk, pn, & + | ^ +note: 'phase.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:559:66: + + 559 | ALLOCATE (amb_info%raw_torsion_k(nptra), source=pk) + | ^ +Warning: 'pk.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:393:91: + + 393 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: asol, bsol, cn1, cn2, phase, pk, pn, & + | ^ +note: 'pk.dim[0].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:566:66: + + 566 | ALLOCATE (amb_info%raw_torsion_m(nptra), source=pn) + | ^ +Warning: 'pn.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/topology_amber.F:393:95: + + 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/src/bse_iterative.F:995:24: + + 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 '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/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:57 +14 2025\"" -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 'input_cp2k_xas.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/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/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: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/Makefile:560: update target 'qs_external_potential.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="\"Sun Apr 13 06:31:58 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:31:58 +14 2025\"" -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="\"Sun Apr 13 06:31:58 +14 2025\"" -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 +/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="\"Fri May 15 10:05:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'ec_external.mod' due to: target does not exist +/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:560: update target 'mao_optimizer.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="\"Sun Apr 13 06:31:58 +14 2025\"" -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 'se_fock_matrix_dbg.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/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:261:37: + + 261 | chia(iatom) = xi - kappa*scn + | ^ +Warning: 'scn' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:194:71: + + 194 | lambda, scn, sgamma, totalcharge, xi + | ^ +note: 'scn' 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="\"Sun Apr 13 06:32:00 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:00 +14 2025\"" -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 +/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 '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/src/qs_dispersion_d3.F:403:33: 403 | e6tot = e6tot - e6 @@ -58160,8 +58340,92 @@ 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 '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: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="\"Sun Apr 13 06:32:01 +14 2025\"" -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 +/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 'eeq_method.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/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:1238:65: + + 1238 | REAL(KIND=dp) :: alpha + | ^ +note: 'alpha' was declared here +/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 '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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:01 +14 2025\"" -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/src/force_env_types.F:736:45: + + 736 | i_force_eval(1) = main_force_eval + | ^ +Warning: 'main_force_eval' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/force_env_types.F:716:88: + + 716 | INTEGER :: iforce_eval, main_force_eval + | ^ +note: 'main_force_eval' was declared here +/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:122:77: + + 122 | LOGICAL :: defined, do_ewald, do_gamma_stress, & + | ^ +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="\"Sun Apr 13 06:32:02 +14 2025\"" -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 +/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/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 'force_env_types.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/src/input_cp2k_dft.F:1255:34: + + 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 '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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:02 +14 2025\"" -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 '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/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:298:88: + + 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 '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="\"Sun Apr 13 06:32:02 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:03 +14 2025\"" -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 +/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:560: update target 'topology_amber.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:03 +14 2025\"" -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 /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) @@ -58204,177 +58468,121 @@ 1079 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: A_full_reshaped | ^ note: 'a_full_reshaped.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="\"Fri May 15 10:05:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/pao_ml_descriptor.F:111:67: - - 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs - | ^ -Warning: 'block_m.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pao_ml_descriptor.F:159:28: - - 159 | block_M = 0.0_dp - | ^ -Warning: 'block_m.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/pao_ml_descriptor.F:111:67: +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1062:20: - 111 | REAL(dp), ALLOCATABLE, DIMENSION(:, :) :: block_M, block_V, V_evecs - | ^ -note: 'block_m.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/pao_ml_descriptor.F:111:67: Warning: 'block_m.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/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/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:560: update target 'qs_energy_window.mod' due to: target does not exist -true -/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/Makefile:560: update target 'topology_amber.mod' due to: target does not exist -true + 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: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="\"Sun Apr 13 06:32:03 +14 2025\"" -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 /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="\"Fri May 15 10:05:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'molecular_states.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:56 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'smeagol_interface.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'qs_dftb_coulomb.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:03 +14 2025\"" -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 +/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="\"Sun Apr 13 06:32:03 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:03 +14 2025\"" -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 +/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="\"Sun Apr 13 06:32:04 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:04 +14 2025\"" -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:560: update target 'qs_dispersion_d3.mod' due to: target does not exist true -/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/src/eeq_method.F:1649:28: +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:614:27: - 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="\"Fri May 15 10:05:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/src/library_tests.F:915:21: + 614 | SUBROUTINE dispersion_2b(dispersion_env, cutoff, r4r2, & + | ^ +Warning: 'dispersion_2b' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:716:27: - 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:822:79: + 716 | SUBROUTINE dispersion_3b(qs_env, dispersion_env, tvec, cutoff, r4r2, & + | ^ +Warning: 'dispersion_3b' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:935:25: - 822 | LOGICAL :: debug, is_fullspace, odd, & - | ^ -note: 'is_fullspace' was declared here -/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: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: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:560: update target 'ri_environment_methods.mod' due to: target does not exist -true -/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="\"Fri May 15 10:05:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/src/force_env_types.F:736:45: + 935 | SUBROUTINE dEdcn_force(qs_env, dEdcn, dcnum, gradient, stress) + | ^ +Warning: 'dedcn_force' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1062:20: - 736 | i_force_eval(1) = main_force_eval - | ^ -Warning: 'main_force_eval' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/force_env_types.F:716:88: + 1062 | SUBROUTINE gerror(ga, gd, ev1, ev2, ev3, ev4) + | ^ +Warning: 'gerror' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1089:20: - 716 | INTEGER :: iforce_eval, main_force_eval - | ^ -note: 'main_force_eval' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'stm_images.mod' due to: target does not exist + 1089 | SUBROUTINE serror(sa, sd, ev1, ev2) + | ^ +Warning: 'serror' defined but not used [-Wunused-function] +/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1116:20: + + 1116 | SUBROUTINE verror(va, vd, ev1, ev2) + | ^ +Warning: 'verror' defined but not used [-Wunused-function] +/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="\"Fri May 15 10:05:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'optbas_opt_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="\"Sun Apr 13 06:32:04 +14 2025\"" -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:560: update target 'lri_ks_methods.mod' due to: target does not exist true -/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:122:77: - - 122 | LOGICAL :: defined, do_ewald, do_gamma_stress, & - | ^ -note: 'do_ewald' 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:767:93: - - 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:767:99: - - 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:1259:65: - - 1259 | ikind, ir, iunit, ix, iy, iz, jkind, & - | ^ -note: 'ikind' was declared here -/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:119:66: - - 119 | DIMENSION(:) :: B_ia_Q - | ^ -note: 'b_ia_q.dim[0].ubound' was declared here -/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 'se_fock_matrix.mod' due to: target does not exist true -/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 '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/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: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/src/input_cp2k_dft.F:1255:34: - - 1255 | SUBROUTINE create_rigpw_section(section) - | ^ -Warning: 'create_rigpw_section' defined but not used [-Wunused-function] +/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 '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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:04 +14 2025\"" -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="\"Sun Apr 13 06:32:04 +14 2025\"" -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="\"Sun Apr 13 06:32:05 +14 2025\"" -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 +/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 'constraint_vsite.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:05 +14 2025\"" -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="\"Sun Apr 13 06:32:05 +14 2025\"" -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: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: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="\"Fri May 15 10:05:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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="\"Fri May 15 10:05:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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_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 +/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 'input_cp2k_dft.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:05 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:06 +14 2025\"" -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="\"Sun Apr 13 06:32:06 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:06 +14 2025\"" -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: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/src/xtb_eeq.F:174:37: + + 174 | chia(iatom) = xi - kappa*scn + | ^ +Warning: 'scn' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/xtb_eeq.F:92:95: + + 92 | REAL(KIND=dp) :: ala, alb, cn, esg, gama, kappa, scn, & + | ^ +note: 'scn' 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/src/hfx_derivatives.F:1227:28: 1227 | IF (screen_pmat_forces) THEN @@ -58595,161 +58803,29 @@ 168 | rb(3), rc(3), rcd2, rd(3), spherical_estimate, spherical_estimate_virial, symm_fac, & | ^ note: 'spherical_estimate_virial' 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="\"Fri May 15 10:05:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1132:22: - - 1132 | IF (in_z*in_y*in_x == 0) CYCLE - | ^ -Warning: 'in_x' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1026:71: - - 1026 | ikind, in_x, in_y, in_z, jx, jy, jz, & - | ^ -note: 'in_x' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1132:22: - - 1132 | IF (in_z*in_y*in_x == 0) CYCLE - | ^ -Warning: 'in_y' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1026:77: - - 1026 | ikind, in_x, in_y, in_z, jx, jy, jz, & - | ^ -note: 'in_y' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1132:22: - - 1132 | IF (in_z*in_y*in_x == 0) CYCLE - | ^ -Warning: 'in_z' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1026:83: - - 1026 | ikind, in_x, in_y, in_z, jx, jy, jz, & - | ^ -note: 'in_z' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1094:25: - - 1094 | IF (dist(m) > rmax - delta) not_in_range(m, 2) = .TRUE. - | ^ -Warning: 'rmax' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1030:87: - - 1030 | REAL(KIND=dp) :: delta, dh(3, 3), r(3), rmax, rmin, & - | ^ -note: 'rmax' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1093:25: - - 1093 | IF (dist(m) < rmin + delta) not_in_range(m, 1) = .TRUE. - | ^ -Warning: 'rmin' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_resp.F:1030:93: - - 1030 | REAL(KIND=dp) :: delta, dh(3, 3), r(3), rmax, rmin, & - | ^ -note: 'rmin' was declared here -/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/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/Makefile:560: update target 'kg_environment.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:58 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'pao_ml_descriptor.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: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 -/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 '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="\"Fri May 15 10:05:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:05:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:05:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:05:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:05:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 '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 -/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 'constraint_vsite.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'external_potential_methods.mod' due to: target does not exist -true -/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 'cp_ddapc_util.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 'mao_basis.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fb_env_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="\"Sun Apr 13 06:32:07 +14 2025\"" -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 +/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 +/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 '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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:00 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/eeq_method.F:1094:82: - - 1094 | 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:1009:59: - - 1009 | INTEGER :: ewald_type, handle, i, iac, iar, ic, ikind, info, ir, iunit, iv, ix, iy, iz, & - | ^ -note: 'ikind' was declared here -/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1132:50: - - 1132 | grc2 = erf(gab(ikind, jkind)*dr)/dr - | ^ -Warning: 'dr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:1013:86: - - 1013 | REAL(KIND=dp) :: ad, alpha, astep, deth, dr, eeqn, & - | ^ -note: 'dr' 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="\"Fri May 15 10:06:00 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:00 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:00 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:00 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:07 +14 2025\"" -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 /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 'dft_plus_u.mod' due to: target does not exist -true -/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:560: update target 'topology_psf.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="\"Sun Apr 13 06:32:08 +14 2025\"" -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 'qs_rho0_ggrid.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 -/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: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: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 'xas_tdp_integrals.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:08 +14 2025\"" -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 '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="\"Sun Apr 13 06:32:08 +14 2025\"" -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/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/src/constraint_fxd.F:143:78: 143 | force(:, iparticle) = core_particle_set(shell_index)%f(:) @@ -58810,56 +58886,37 @@ 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="\"Fri May 15 10:06:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'neb_types.mod' due to: target does not exist -true -/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 -/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/src/mixed_cdft_utils.F:975:69: +/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1600:73: - 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:560: update target 'cell_opt_types.mod' due to: target does not exist -true -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'qs_resp.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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:560: update target 'lri_ks_methods.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: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/src/minbas_methods.F:171:14: + 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: - 171 | ELSEIF (nmo /= nmx) THEN - | ^ -Warning: 'nmx' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/minbas_methods.F:87:80: + 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: - 87 | ndep, nmao, nmo, nmx, np, np1, nspin, & - | ^ -note: 'nmx' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'force_fields.mod' due to: target does not exist + 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_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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:08 +14 2025\"" -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 'xtb_eeq.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_eri_gpw.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:08 +14 2025\"" -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 +/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 'constraint_fxd.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/hfx_energy_potential.F:972:94: @@ -59241,75 +59298,44 @@ 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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:03 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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: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 -/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:560: update target 'thermal_region_utils.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'motion_utils.mod' due to: target does not exist -true -/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 'qmmm_image_charge.mod' due to: target does not exist true -/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:09 +14 2025\"" -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/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 '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="\"Fri May 15 10:06:03 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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:298:88: - - 298 | REAL(dp) :: dij, dik, djk, my_eps_screen, ri(3), & - | ^ -note: 'my_eps_screen' 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="\"Fri May 15 10:06:03 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:03 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:03 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:03 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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/Makefile:560: update target 'bse_iterative.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 'qmmm_init.mod' due to: target does not exist +/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="\"Fri May 15 10:06:03 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:03 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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/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 'qmmm_image_charge.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="\"Sun Apr 13 06:32:09 +14 2025\"" -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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:09 +14 2025\"" -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 '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 '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="\"Sun Apr 13 06:32:09 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:09 +14 2025\"" -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 'xtb_coulomb.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'external_potential_methods.mod' due to: target does not exist +true /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 'qs_ks_atom.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 -/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:261:37: - - 261 | chia(iatom) = xi - kappa*scn - | ^ -Warning: 'scn' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/eeq_method.F:194:71: - - 194 | lambda, scn, sgamma, totalcharge, xi - | ^ -note: 'scn' 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="\"Fri May 15 10:06:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/motion/neb_md_utils.F:119:47: 119 | temp = 2.0_dp*akin/REAL(nvar, KIND=dp) @@ -59320,27 +59346,60 @@ 74 | INTEGER :: iatom, ivar, natom, nparticle, nvar | ^ note: 'nvar' was declared here +/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:87:80: + + 87 | ndep, nmao, nmo, nmx, np, np1, nspin, & + | ^ +note: 'nmx' 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="\"Sun Apr 13 06:32:10 +14 2025\"" -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: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 +/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="\"Sun Apr 13 06:32:10 +14 2025\"" -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="\"Sun Apr 13 06:32:10 +14 2025\"" -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:560: update target 'gopt_f_types.mod' due to: target does not exist true -/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/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:560: update target 'minbas_methods.mod' due to: target does not exist +/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:560: update target 'fist_force.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 -/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 'neb_md_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_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="\"Fri May 15 10:06:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'cp_ddapc.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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: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 'neb_md_utils.mod' due to: target does not exist +true +/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/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:11 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1335:20: + + 1335 | CPASSERT(np1 - 1 <= 10) + | ^ +Warning: 'np1' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/force_fields_input.F:1184:92: + + 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 '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="\"Sun Apr 13 06:32:11 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:11 +14 2025\"" -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 +/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 /build/reproducible-path/cp2k-2025.1/src/optimize_embedding_potential.F:1885:32: 1885 | SUBROUTINE inv_Hessian_update(grad, prev_grad, step, prev_inv_Hess, inv_Hess) @@ -59351,16 +59410,12 @@ 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 'eeq_method.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="\"Sun Apr 13 06:32:11 +14 2025\"" -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/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 '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 'input_restart_force_eval.mod' due to: target does not exist +/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="\"Fri May 15 10:06:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:32:11 +14 2025\"" -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/src/colvar_methods.F:1276:70: 1276 | tag_comp = enum_i2c(enum, colvar%xyz_diag_param%component) @@ -59376,19 +59431,19 @@ 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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:05 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'qs_ot_minimizer.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: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_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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:05 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:05 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'metadynamics_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_gapw_densities.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:14 +14 2025\"" -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: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:1569:37: 1569 | bounds = bounds - (n3/2) - 1 @@ -59399,33 +59454,24 @@ 1523 | nzeroed_total, ub | ^ note: 'ub' was declared here -/build/reproducible-path/cp2k-2025.1/src/qmmm_se_forces.F:208:17: - - 208 | CPASSERT(iqm == number_qm_atoms) - | ^ -Warning: 'iqm' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qmmm_se_forces.F:89:88: - - 89 | INTEGER :: handle, i, iatom, ikind, iqm, ispin, & - | ^ -note: 'iqm' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_derivatives.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:560: update target 'qmmm_se_forces.mod' due to: target does not exist -true -/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/qs_dispersion_d4.F:1062:20: - - 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 'constraint_3x3.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="\"Sun Apr 13 06:32:15 +14 2025\"" -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 +/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:560: update target 'input_cp2k_force_eval.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="\"Sun Apr 13 06:32:15 +14 2025\"" -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/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_dispersion_pairpot.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:15 +14 2025\"" -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: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="\"Sun Apr 13 06:32:15 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:15 +14 2025\"" -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="\"Sun Apr 13 06:32:15 +14 2025\"" -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 /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 @@ -59493,66 +59539,22 @@ 90 | LOGICAL :: defined, do_ewald, found | ^ note: 'do_ewald' was declared here -/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)) - | ^ -Warning: 'atomic_kind' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qmmmx_util.F:533:71: - - 533 | TYPE(atomic_kind_type), POINTER :: atomic_kind - | ^ -note: 'atomic_kind' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:614:27: - - 614 | SUBROUTINE dispersion_2b(dispersion_env, cutoff, r4r2, & - | ^ -Warning: 'dispersion_2b' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:716:27: - - 716 | SUBROUTINE dispersion_3b(qs_env, dispersion_env, tvec, cutoff, r4r2, & - | ^ -Warning: 'dispersion_3b' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:935:25: - - 935 | SUBROUTINE dEdcn_force(qs_env, dEdcn, dcnum, gradient, stress) - | ^ -Warning: 'dedcn_force' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1062:20: - - 1062 | SUBROUTINE gerror(ga, gd, ev1, ev2, ev3, ev4) - | ^ -Warning: 'gerror' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1089:20: +/build/reproducible-path/cp2k-2025.1/src/mp2_eri.F:737:13: - 1089 | SUBROUTINE serror(sa, sd, ev1, ev2) - | ^ -Warning: 'serror' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/src/qs_dispersion_d4.F:1116:20: + 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:642:62: - 1116 | SUBROUTINE verror(va, vd, ev1, ev2) - | ^ -Warning: 'verror' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_dispersion_d4.mod' due to: target does not exist + 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 'constraint_3x3.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:07 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_se_energy.mod' due to: target does not exist +/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_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="\"Fri May 15 10:06:07 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:07 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Fri May 15 10:06:07 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /build/reproducible-path/cp2k-2025.1/src/xtb_ehess_force.F:294:13: 294 | IF (do_ewald) THEN @@ -59563,12 +59565,36 @@ 103 | LOGICAL :: calculate_forces, defined, do_ewald, & | ^ note: 'do_ewald' was declared here -/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 'xtb_ehess.mod' due to: target does not exist +/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: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 +/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/src/qmmm_se_forces.F:208:17: + + 208 | CPASSERT(iqm == number_qm_atoms) + | ^ +Warning: 'iqm' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qmmm_se_forces.F:89:88: + + 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="\"Sun Apr 13 06:32:17 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:17 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:17 +14 2025\"" -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="\"Sun Apr 13 06:32:17 +14 2025\"" -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 +/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 'qs_ot_scf.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: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/mixed_cdft_utils.F:1130:70: 1130 | ALLOCATE (mixed_cdft%matrix%mixed_mo_coeff(nforce_eval, nspins)) @@ -59620,6 +59646,16 @@ 1154 | NULLIFY (occno_tmp(iforce_eval, ispin)%array) | ^ Warning: 'occno_tmp.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/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)) + | ^ +Warning: 'atomic_kind' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qmmmx_util.F:533:71: + + 533 | TYPE(atomic_kind_type), POINTER :: atomic_kind + | ^ +note: 'atomic_kind' was declared here /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_utils.F:1047:69: 1047 | TYPE(cp_1d_r_p_type), ALLOCATABLE, DIMENSION(:, :) :: occno_tmp @@ -59645,47 +59681,53 @@ 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 'space_groups.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 +/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/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 'qs_tddfpt2_subgroups.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="\"Sun Apr 13 06:32:18 +14 2025\"" -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:560: update target 'qmmm_se_energy.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:08 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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 'cg_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="\"Sun Apr 13 06:32:18 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_se_forces.mod' due to: target does not exist +true +/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 '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 +/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 /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/src/xtb_eeq.F:174:37: - - 174 | chia(iatom) = xi - kappa*scn - | ^ -Warning: 'scn' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/xtb_eeq.F:92:95: - - 92 | REAL(KIND=dp) :: ala, alb, cn, esg, gama, kappa, scn, & - | ^ -note: 'scn' 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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:08 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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="\"Fri May 15 10:06:08 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:08 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'qs_ks_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="\"Fri May 15 10:06:08 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'lri_optimize_ri_basis.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:18 +14 2025\"" -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:560: update target 'qs_ot_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="\"Sun Apr 13 06:32:18 +14 2025\"" -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/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:119:66: + + 119 | DIMENSION(:) :: B_ia_Q + | ^ +note: 'b_ia_q.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="\"Sun Apr 13 06:32:19 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:19 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:19 +14 2025\"" -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="\"Sun Apr 13 06:32:19 +14 2025\"" -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="\"Sun Apr 13 06:32:18 +14 2025\"" -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/src/motion/thermostat/thermostat_utils.F:317:38: 317 | IF ((nmolecule == 1) .AND. (nkind == 1)) nointer = .FALSE. @@ -59696,136 +59738,69 @@ 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 'mc_environment_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="\"Sun Apr 13 06:32:18 +14 2025\"" -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:560: update target 'constraint_4x6.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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_derivatives.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 +/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 'qs_dftb_dispersion.mod' due to: target does not exist true -/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 'qmmmx_util.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="\"Fri May 15 10:06:09 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:09 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'mc_misc.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 'cg_utils.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 'thermostat_utils.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:21 +14 2025\"" -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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:22 +14 2025\"" -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 '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="\"Sun Apr 13 06:32:22 +14 2025\"" -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="\"Sun Apr 13 06:32:22 +14 2025\"" -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 /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 'minbas_wfn_analysis.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'atom_operators.mod' due to: target does not exist -true -/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 -/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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'qs_dispersion_pairpot.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mp2_gpw_method.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="\"Fri May 15 10:06:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'optimize_embedding_potential.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="\"Sun Apr 13 06:32:22 +14 2025\"" -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="\"Sun Apr 13 06:32:22 +14 2025\"" -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 +/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="\"Fri May 15 10:06:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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:1284:90: - - 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:1285:62: - - 1285 | tu, wmc, wmp, wmw, zibp - | ^ -Warning: 'tu' may be used uninitialized [-Wmaybe-uninitialized] -/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:642:62: - - 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 'csvr_system_dynamics.mod' due to: target does not exist +/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 'qs_tddfpt2_lri_utils.mod' due to: target does not exist +/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/src/motion/thermostat/al_system_dynamics.F:291:46: - - 291 | map_info%v_scale(imap) = 1.0_dp - | ^ -Warning: 'imap' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_dynamics.F:274:67: - - 274 | INTEGER :: i, imap - | ^ -note: 'imap' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'extended_system_dynamics.mod' due to: target does not exist +/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 'al_system_dynamics.mod' due to: target does not exist +/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 'xtb_ehess_force.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:5525:24: - - 5525 | colvar%ss = cv_val - | ^ -Warning: 'cv_val' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:5446:66: - - 5446 | REAL(kind=dp) :: cv_val, f1, ftmp(3) - | ^ -note: 'cv_val' was declared here -/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:171:74: - - 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="\"Sun Apr 13 06:32:22 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:22 +14 2025\"" -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 'hfx_energy_potential.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'mc_misc.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:23 +14 2025\"" -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/src/atom_grb.F:765:69: 765 | WRITE (iunit, "(40I3)") nval, lmin, lmax, nprim, (nbas(l), l=lmin, lmax) @@ -59866,39 +59841,46 @@ 734 | INTEGER :: i, j, l, lmax, lmin, nval | ^ note: 'lmin' declared here -/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: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="\"Fri May 15 10:06:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'xtb_ks_matrix.mod' due to: target does not exist +/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 'qs_dftb_dispersion.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:560: update target 'cp_lbfgs.mod' due to: target does not exist +/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/colvar_methods.F:2951:10: +/build/reproducible-path/cp2k-2025.1/src/qs_pdos.F:659:95: - 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 'gle_system_dynamics.mod' due to: target does not exist + 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:171:74: + + 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/src/atom_fit.F:1868:21: + + 1868 | END FUNCTION rcpro + | ^ +Warning: 'yval' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_fit.F:1851:40: + + 1851 | FUNCTION rcpro(id, xval) RESULT(yval) + | ^ +note: 'yval' 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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:14 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/colvar_methods.F:2035:19: +/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_dynamics.F:291:46: - 2035 | colvar%ss = r - | ^ -Warning: 'r' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:1952:68: + 291 | map_info%v_scale(imap) = 1.0_dp + | ^ +Warning: 'imap' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/motion/thermostat/al_system_dynamics.F:274:67: - 1952 | REAL(dp) :: fi(3), r, r0(3), ss(3), xi(3), xpi(3) - | ^ -note: 'r' was declared here + 274 | INTEGER :: i, imap + | ^ +note: 'imap' was declared here +/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/src/atom_admm_methods.F:213:19: 213 | IF (rhf) THEN @@ -59909,24 +59891,20 @@ 69 | LOGICAL :: pp_calc, rhf | ^ note: 'rhf' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'barostat_types.mod' due to: target does not exist +/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/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 -/build/reproducible-path/cp2k-2025.1/src/atom_fit.F:1868:21: +/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/src/colvar_methods.F:5525:24: - 1868 | END FUNCTION rcpro - | ^ -Warning: 'yval' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/atom_fit.F:1851:40: + 5525 | colvar%ss = cv_val + | ^ +Warning: 'cv_val' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:5446:66: - 1851 | FUNCTION rcpro(id, xval) RESULT(yval) - | ^ -note: 'yval' 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="\"Fri May 15 10:06:14 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:14 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 + 5446 | REAL(kind=dp) :: cv_val, f1, ftmp(3) + | ^ +note: 'cv_val' was declared here /build/reproducible-path/cp2k-2025.1/src/atom_grb.F:264:17: 264 | CPASSERT(fhomo > ABS(dene)) @@ -59937,15 +59915,58 @@ 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 'extended_system_init.mod' due to: target does not exist +true +/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="\"Sun Apr 13 06:32:27 +14 2025\"" -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/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:1284:90: + + 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:1285:62: + + 1285 | tu, wmc, wmp, wmw, zibp + | ^ +Warning: 'tu' may be used uninitialized [-Wmaybe-uninitialized] +/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:560: update target 'qmmm_init.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:28 +14 2025\"" -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 'xtb_ks_matrix.mod' due to: target does not exist +true /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 'barostat_utils.mod' due to: target does not exist +/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 'input_cp2k_barostats.mod' due to: target does not exist +/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: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 '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="\"Sun Apr 13 06:32:29 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:29 +14 2025\"" -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/Makefile:560: update target 'ec_environment.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/qs_dftb_matrices.F:365:22: 365 | IF (use_virial) THEN @@ -59956,56 +59977,78 @@ 110 | LOGICAL :: defined, found, omit_headers, use_virial | ^ note: 'use_virial' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'mixed_cdft_utils.mod' due to: target does not exist +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tensors.mod' due to: target does not exist true -/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: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="\"Sun Apr 13 06:32:29 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_lbfgs.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:29 +14 2025\"" -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="\"Sun Apr 13 06:32:29 +14 2025\"" -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/src/colvar_methods.F:2035:19: + + 2035 | colvar%ss = r + | ^ +Warning: 'r' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/colvar_methods.F:1952:68: + + 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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:30 +14 2025\"" -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:560: update target 'barostat_utils.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 +true +/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/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 'xas_tdp_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="\"Fri May 15 10:06:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:31 +14 2025\"" -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/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="\"Fri May 15 10:06:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:17 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:35 +14 2025\"" -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="\"Sun Apr 13 06:32:35 +14 2025\"" -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:560: update target 'atom_admm_methods.mod' due to: target does not exist +true +/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 'xas_tdp_utils.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_mapping.o thermostat_mapping.o barostat_utils.o extended_system_mapping.o thermostat_methods.o gle_system_dynamics.o extended_system_init.o al_system_mapping.o al_system_init.o csvr_system_init.o thermostat_utils.o thermostat_types.o barostat_types.o input_cp2k_barostats.o extended_system_dynamics.o csvr_system_dynamics.o al_system_dynamics.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kthermostat.a barostat_types.o al_system_mapping.o al_system_init.o input_cp2k_barostats.o extended_system_init.o gle_system_dynamics.o csvr_system_dynamics.o thermostat_mapping.o extended_system_dynamics.o csvr_system_mapping.o thermostat_utils.o thermostat_methods.o extended_system_mapping.o csvr_system_init.o barostat_utils.o thermostat_types.o al_system_dynamics.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 'simpar_methods.mod' due to: target does not exist -true -/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 'qs_tensors.mod' due to: target does not exist -true -/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 -/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 'xtb_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="\"Fri May 15 10:06:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/build/reproducible-path/cp2k-2025.1/src/hfx_ri.F:952:35: + + 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/src/atom_fit.F:199:64: 199 | INTEGER, ALLOCATABLE, DIMENSION(:, :) :: xtob | ^ Warning: 'xtob.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/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/src/qmmm_tb_methods.F:1402:37: 1402 | force_ab = -fsr*rij/dr @@ -60016,84 +60059,27 @@ 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 'atom_grb.mod' due to: target does not exist -true -/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:844:76: - - 844 | LOGICAL :: defined, do_dftb, do_multipoles, do_xtb, & - | ^ -note: 'do_dftb' was declared here -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:06:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/xas_tdp_atom.F:1150:63: 1150 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: dso | ^ Warning: 'dso.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/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/src/qmmm_tb_methods.F:655:13: +/build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:898:13: - 655 | IF (do_dftb) THEN + 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:608:76: +/build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:844:76: - 608 | LOGICAL :: defined, do_dftb, do_xtb, found + 844 | LOGICAL :: defined, do_dftb, do_multipoles, do_xtb, & | ^ note: 'do_dftb' was declared here -/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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'mp2_ri_libint.mod' due to: target does not exist +/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 '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/src/qmmm_tb_methods.F:376:10: - - 376 | IF (do_dftb) THEN - | ^ -Warning: 'do_dftb' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:323:76: - - 323 | 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="\"Fri May 15 10:06:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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/src/xas_tdp_atom.F:1338:68: 1338 | REAL(dp), ALLOCATABLE, DIMENSION(:, :, :) :: co, dsgf, pos @@ -60131,11 +60117,48 @@ | ^ note: 'dsgf.dim[1].ubound' was declared here /build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:1338:68: Warning: 'dsgf.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/hfx_ri.F:952:35: +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:37 +14 2025\"" -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="\"Sun Apr 13 06:32:37 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:655:13: - 952 | SUBROUTINE sort_unique_blkind_2d(blk_ind) - | ^ -Warning: 'sort_unique_blkind_2d' defined but not used [-Wunused-function] + 655 | IF (do_dftb) THEN + | ^ +Warning: 'do_dftb' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:608:76: + + 608 | LOGICAL :: defined, do_dftb, do_xtb, found + | ^ +note: 'do_dftb' was declared here +/build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:376:10: + + 376 | IF (do_dftb) THEN + | ^ +Warning: 'do_dftb' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:323:76: + + 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 'atom_fit.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 '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 +/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 +/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="\"Sun Apr 13 06:32:40 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:39 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:276:10: 276 | IF (do_dftb) THEN @@ -60146,6 +60169,11 @@ 251 | LOGICAL :: do_dftb, 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="\"Sun Apr 13 06:32:40 +14 2025\"" -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="\"Sun Apr 13 06:32:40 +14 2025\"" -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="\"Sun Apr 13 06:32:40 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:40 +14 2025\"" -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="\"Sun Apr 13 06:32:40 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/qmmm_tb_methods.F:160:10: 160 | IF (do_dftb) THEN @@ -60156,75 +60184,47 @@ 114 | LOGICAL :: defined, do_dftb, do_xtb, found | ^ 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 +/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="\"Sun Apr 13 06:32:40 +14 2025\"" -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/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="\"Sun Apr 13 06:32:40 +14 2025\"" -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/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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'constraint_clv.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'atom_basis.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="\"Sun Apr 13 06:32:40 +14 2025\"" -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 'colvar_methods.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:377:69: +/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="\"Sun Apr 13 06:32:41 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:41 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:41 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:41 +14 2025\"" -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="\"Sun Apr 13 06:32:41 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/post_scf_bandstructure_utils.F:2136:40: - 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 'constraint_util.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/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 'input_cp2k.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'metadynamics.mod' due to: target does not exist -true -/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="\"Fri May 15 10:06:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_utils.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 'atom_basis.mod' due to: target does not exist true -/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="\"Fri May 15 10:06:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'atom_pseudo.mod' due to: target does not exist +/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/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:493:85: - - 493 | REAL(KIND=dp) :: dene, emax, expzet, fhomo, o, prefac, & - | ^ -note: 'fhomo' was declared here /build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:1344:57: 1344 | BIb_RS_mat_rec(1:dimen, 1:Rsize_rec) @@ -60260,117 +60260,40 @@ 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:560: update target 'input_cp2k.mod' due to: target does not exist +true +/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 'qmmm_gpw_energy.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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 '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="\"Fri May 15 10:06:25 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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.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="\"Fri May 15 10:06:25 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:06:26 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'atom_kind_orbitals.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="\"Sun Apr 13 06:32:44 +14 2025\"" -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 'constraint_clv.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="\"Fri May 15 10:06:26 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:26 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:26 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:26 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/topology_constraint_util.F:101:77: - - 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/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:410:97: - - 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:419:21: - - 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:1036:81: - - 1036 | BIb_RS_mat_rec_big(1:dimen, 1:Rsize_rec, 1:elements_ij_proc) - | ^ -Warning: 'rsize_rec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:418:86: +/build/reproducible-path/cp2k-2025.1/src/atom_energy.F:530:17: - 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:1040:105: + 530 | CPASSERT(fhomo > ABS(dene)) + | ^ +Warning: 'fhomo' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/atom_energy.F:493:85: - 1040 | BIb_RS_mat_rec_big(1:dimen, Rsize_rec + 1:Rsize_rec + Ssize_rec, 1:elements_ij_proc) - | ^ -Warning: 'ssize_rec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:420:95: + 493 | REAL(KIND=dp) :: dene, emax, expzet, fhomo, o, prefac, & + | ^ +note: 'fhomo' was declared here +/build/reproducible-path/cp2k-2025.1/src/metadynamics.F:603:22: - 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:418:75: + 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:377:69: - 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 'sirius_interface.mod' due to: target does not exist -true -/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 'md_environment_types.mod' due to: target does not exist + 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 'restraint.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 '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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'qs_atomic_block.mod' due to: target does not exist +/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/src/post_scf_bandstructure_utils.F:2519:41: @@ -60382,17 +60305,37 @@ 2495 | j_bf, jatom, jatom_old, jcol, n_bf, & | ^ note: 'n_bf' declared here -/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/Makefile:560: update target 'topology_constraint_util.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/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="\"Fri May 15 10:06:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'glbopt_callback.mod' due to: target does not exist +/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="\"Sun Apr 13 06:32:48 +14 2025\"" -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/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/Makefile:560: update target 'colvar_utils.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/src/post_scf_bandstructure_utils.F:2361:40: + + 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:2360:78: + + 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: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 /build/reproducible-path/cp2k-2025.1/src/rpa_im_time.F:412:54: 412 | nze_M_occ = nze_M_occ + nze @@ -60453,35 +60396,8 @@ 195 | occ_M_virt, occ_O, t1_flop | ^ note: 'occ_o' 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="\"Fri May 15 10:06:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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:2361:40: - - 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:2360:78: - - 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 'wiener_process.mod' due to: target does not exist -true -/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="\"Sun Apr 13 06:32:49 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:49 +14 2025\"" -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:2245:19: 2245 | IF (i_kind .NE. kind_of(i_atom)) THEN @@ -60492,33 +60408,81 @@ 2193 | INTEGER :: handle, i_atom, i_global, i_kind, i_row, & | ^ note: 'i_atom' 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="\"Fri May 15 10:06:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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/src/mp2_direct_method.F:159:53: +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:843:96: - 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:101:41: + 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:410:97: - 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/Makefile:560: update target 'reftraj_util.mod' due to: target does not exist + 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:419:21: + + 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:1036:81: + + 1036 | BIb_RS_mat_rec_big(1:dimen, 1:Rsize_rec, 1:elements_ij_proc) + | ^ +Warning: 'rsize_rec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:418:86: + + 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:1040:105: + + 1040 | BIb_RS_mat_rec_big(1:dimen, Rsize_rec + 1:Rsize_rec + Ssize_rec, 1:elements_ij_proc) + | ^ +Warning: 'ssize_rec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_direct_method.F:420:95: + + 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:418:75: + + 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_energy.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qmmm_gpw_forces.mod' due to: target does not exist +/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="\"Sun Apr 13 06:32:51 +14 2025\"" -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:560: update target 'mp2_direct_method.mod' due to: target does not exist +/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="\"Sun Apr 13 06:32:53 +14 2025\"" -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="\"Sun Apr 13 06:32:53 +14 2025\"" -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="\"Sun Apr 13 06:32:53 +14 2025\"" -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="\"Sun Apr 13 06:32:53 +14 2025\"" -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/Makefile:560: update target 'averages_types.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="\"Fri May 15 10:06:29 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_harris_utils.mod' due to: target does not exist +/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="\"Sun Apr 13 06:32:57 +14 2025\"" -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/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.mod' due to: target does not exist +true +/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: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="\"Sun Apr 13 06:32:57 +14 2025\"" -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 'atom.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 /build/reproducible-path/cp2k-2025.1/src/xas_tdp_atom.F:425:58: 425 | grid_atom%rad(1:new_nr) = grid_atom%rad(first_ir:nr) @@ -60529,41 +60493,12 @@ 407 | INTEGER :: first_ir, ir, llmax_p1, na, new_nr, nr | ^ note: 'first_ir' 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="\"Fri May 15 10:06:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'md_conserved_quantities.mod' due to: target does not exist -true -/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: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 'free_energy_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="\"Fri May 15 10:06:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/qs_cdft_utils.F:534:79: - - 534 | INTEGER, DIMENSION(:), POINTER :: atomlist, dummylist, tmplist - | ^ -Warning: 'dummylist.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/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 'xas_tdp_atom.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/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:912:77: +/build/reproducible-path/cp2k-2025.1/src/topology_constraint_util.F:101:77: - 912 | nzeroed_inner, ub + 101 | INTEGER :: cind, first, first_atom, gind, handle, handle2, i, ii, itype, iw, j, k, k1loc, & | ^ -note: 'ub' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'integrator_utils.mod' due to: target does not exist +Warning: 'itype' may be used uninitialized [-Wmaybe-uninitialized] +/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/src/mp2_eri.F:521:93: @@ -60755,55 +60690,174 @@ 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/Makefile:560: update target 'qs_atomic_block.mod' due to: target does not exist +true +/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 '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 '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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:58 +14 2025\"" -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="\"Sun Apr 13 06:32:59 +14 2025\"" -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="\"Sun Apr 13 06:32:59 +14 2025\"" -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="\"Sun Apr 13 06:32:59 +14 2025\"" -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="\"Sun Apr 13 06:32:59 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:32:59 +14 2025\"" -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 +/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:101:41: + + 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/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 'xas_tdp_atom.mod' due to: target does not exist +true +/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="\"Sun Apr 13 06:33:00 +14 2025\"" -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="\"Sun Apr 13 06:33:00 +14 2025\"" -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/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 +/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="\"Sun Apr 13 06:33:00 +14 2025\"" -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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:33:02 +14 2025\"" -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/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="\"Sun Apr 13 06:33:02 +14 2025\"" -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 'wiener_process.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: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="\"Sun Apr 13 06:33:03 +14 2025\"" -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/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="\"Sun Apr 13 06:33:04 +14 2025\"" -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 'mdctrl_methods.mod' due to: target does not exist +true +/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 '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/qs_cdft_utils.F:534:79: + + 534 | INTEGER, DIMENSION(:), POINTER :: atomlist, dummylist, tmplist + | ^ +Warning: 'dummylist.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/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/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:912:77: + + 912 | nzeroed_inner, ub + | ^ +note: 'ub' 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: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="\"Sun Apr 13 06:33:11 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'free_energy_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="\"Sun Apr 13 06:33:11 +14 2025\"" -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 'integrator_utils.mod' due to: target does not exist +true /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="\"Fri May 15 10:06:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:33:17 +14 2025\"" -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/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:895:68: + + 895 | iset, la + | ^ +note: 'la' was declared here +/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="\"Sun Apr 13 06:33:19 +14 2025\"" -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 'cp_subsys_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="\"Sun Apr 13 06:33:19 +14 2025\"" -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 +/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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:33:20 +14 2025\"" -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 /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:33:20 +14 2025\"" -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 /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="\"Sun Apr 13 06:33:20 +14 2025\"" -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="\"Sun Apr 13 06:33:20 +14 2025\"" -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 /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:33:20 +14 2025\"" -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 '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="\"Fri May 15 10:06:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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_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="\"Fri May 15 10:06:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:33 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'admm_methods.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: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="\"Fri May 15 10:06:33 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'xc_pot_saop.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'embed_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="\"Sun Apr 13 06:33:20 +14 2025\"" -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="\"Sun Apr 13 06:33:20 +14 2025\"" -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/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:1803:78: + + 1803 | REAL(dp) :: pref, spin_fac, t1, t2 + | ^ +note: 't1' was declared here /build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:2244:51: 2244 | method = enum_i2c(enum, qs_control%method_id) @@ -60814,43 +60868,34 @@ 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 'qs_subsys_methods.mod' due to: target does not exist -true -/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 '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 /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:560: update target 'eip_environment.mod' due to: target does not exist +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:33:25 +14 2025\"" -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 'qs_subsys_methods.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 /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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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:895:68: - - 895 | iset, la - | ^ -note: 'la' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_rho_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="\"Sun Apr 13 06:33:25 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:33:25 +14 2025\"" -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 'ipi_environment.mod' due to: target does not exist +true +/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 /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/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] +/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/src/cp_control_utils.F:2501:78: 2501 | i_val=ddapc_restraint_control%density_type) @@ -60861,55 +60906,46 @@ 2469 | TYPE(section_vals_type), POINTER :: ddapc_section | ^ note: 'ddapc_section' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'fist_environment.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/src/nnp_environment.F:655:107: - - 655 | WRITE (unit_nr, *) TRIM(printtag)//"| Reading scaling information from file: ", TRIM(file_name) - | ^ -Warning: 'unit_nr' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/nnp_environment.F:260:67: - - 260 | unit_nr - | ^ -note: 'unit_nr' was declared here -/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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:33:26 +14 2025\"" -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/Makefile:513: update target 'qs_update_s_mstruct.o' due to: target does not exist /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_update_s_mstruct.F qs_update_s_mstruct.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_wf_history_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_wf_history_methods.F 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="\"Sun Apr 13 06:33:26 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'xas_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/xas_restart.F 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="\"Sun Apr 13 06:33:26 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_post_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/qs_scf_post_tb.F qs_scf_post_tb.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="\"Sun Apr 13 06:33:26 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_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/qs_fxc.F 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="\"Sun Apr 13 06:33:27 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:33:27 +14 2025\"" -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 /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="\"Sun Apr 13 06:33:27 +14 2025\"" -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 '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="\"Sun Apr 13 06:33:27 +14 2025\"" -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 /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="\"Fri May 15 10:06:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:06:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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="\"Sun Apr 13 06:33:27 +14 2025\"" -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="\"Sun Apr 13 06:33:27 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'embed_main.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:33:28 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:1637:53: 1637 | t_control%auto_basis_p_lri_aux = isize @@ -60922,28 +60958,6 @@ note: 'isize' was declared here /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 'pwdft_environment.mod' due to: target does not exist -true -/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:656:69: - - 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: - - 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:656:87: - - 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/mixed_cdft_methods.F:3857:44: 3857 | d_sum_Pm_dR = 0.0_dp @@ -61175,6 +61189,20 @@ 3526 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: cavity, weight | ^ note: 'weight.dim[0].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/nnp_environment.F:655:107: + + 655 | WRITE (unit_nr, *) TRIM(printtag)//"| Reading scaling information from file: ", TRIM(file_name) + | ^ +Warning: 'unit_nr' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/nnp_environment.F:260:67: + + 260 | unit_nr + | ^ +note: 'unit_nr' was declared here +/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 'pwdft_environment.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/cp_control_utils.F:227:52: 227 | dft_control%auto_basis_ri_xas = isize @@ -61185,24 +61213,29 @@ 110 | INTEGER :: admmtype, excitations, irep, isize, & | ^ note: 'isize' 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="\"Fri May 15 10:06:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/hfx_ri.F:2456:55: +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:927:34: - 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:1803:78: + 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:656:69: - 1803 | REAL(dp) :: pref, spin_fac, t1, t2 - | ^ -note: 't1' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_control_utils.mod' due to: target does not exist + 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: + + 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:656:87: + + 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/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 'mp2_optimize_ri_basis.mod' due to: target does not exist +/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/src/qs_kernel_methods.F:123:83: @@ -61214,68 +61247,35 @@ 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/src/qs_cdft_methods.F:1163:66: - - 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:1163:66: Warning: 'charge.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] +/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:560: update target 'qs_fxc.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_kernel_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_update_s_mstruct.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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_fxc.mod' due to: target does not exist +/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 +/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/Makefile:560: update target 'qs_tddfpt2_densities.mod' due to: target does not exist +/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="\"Sun Apr 13 06:33:39 +14 2025\"" -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 'kg_correction.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/src/qs_cdft_methods.F:434:78: - - 434 | dP_i_dRj(:, iatom, jatom) = ds_dR_j(:)/tmp_const - | ^ -Warning: 'dp_i_drj.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:159:68: - - 159 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dP_i_dRj - | ^ -note: 'dp_i_drj.dim[2].stride' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:309:38: - - 309 | d_sum_Pm_dR = 0.0_dp - | ^ -Warning: 'd_sum_pm_dr.dim[1].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:158:71: - - 158 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: d_sum_Pm_dR, dP_i_dRi - | ^ -note: 'd_sum_pm_dr.dim[1].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:434:78: - - 434 | dP_i_dRj(:, iatom, jatom) = ds_dR_j(:)/tmp_const - | ^ -Warning: 'dp_i_drj.offset' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:159:68: - - 159 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dP_i_dRj - | ^ -note: 'dp_i_drj.offset' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:469:115: - - 469 | group(igroup)%coeff(ip)*dP_i_dRi(:, iatom) - | ^ -Warning: 'ip' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:146:96: +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:1163:66: - 146 | INTEGER :: handle, i, iatom, igroup, ind(3), ip, j, & - | ^ -note: 'ip' was declared here -/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:560: update target 'qs_wf_history_methods.mod' due to: target does not exist -true + 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:1163:66: Warning: 'charge.dim[0].stride' may be used uninitialized [-Wmaybe-uninitialized] /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/Makefile:560: update target 'mp2_ri_grad.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/mixed_cdft_methods.F:1250:91: 1250 | density_matrix(istate, ispin)%matrix, name="DENSITY_MATRIX") @@ -61312,33 +61312,59 @@ /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:33:45 +14 2025\"" -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 /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_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 'kg_correction.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="\"Fri May 15 10:06:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:06:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'qs_tddfpt2_smearing_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="\"Sun Apr 13 06:33:45 +14 2025\"" -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="\"Sun Apr 13 06:33:45 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'helium_nnp.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:33:46 +14 2025\"" -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/src/qs_cdft_methods.F:434:78: + + 434 | dP_i_dRj(:, iatom, jatom) = ds_dR_j(:)/tmp_const + | ^ +Warning: 'dp_i_drj.dim[2].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:159:68: + + 159 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dP_i_dRj + | ^ +note: 'dp_i_drj.dim[2].stride' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:309:38: + + 309 | d_sum_Pm_dR = 0.0_dp + | ^ +Warning: 'd_sum_pm_dr.dim[1].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:158:71: + + 158 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :) :: d_sum_Pm_dR, dP_i_dRi + | ^ +note: 'd_sum_pm_dr.dim[1].ubound' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:434:78: + + 434 | dP_i_dRj(:, iatom, jatom) = ds_dR_j(:)/tmp_const + | ^ +Warning: 'dp_i_drj.offset' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:159:68: + + 159 | REAL(kind=dp), ALLOCATABLE, DIMENSION(:, :, :) :: dP_i_dRj + | ^ +note: 'dp_i_drj.offset' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:469:115: + + 469 | group(igroup)%coeff(ip)*dP_i_dRi(:, iatom) + | ^ +Warning: 'ip' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_cdft_methods.F:146:96: + + 146 | INTEGER :: handle, i, iatom, igroup, ind(3), ip, j, & + | ^ +note: 'ip' was declared here /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 'qs_tddfpt2_soc_utils.mod' due to: target does not exist -true -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:06:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'mp2_ri_grad.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/src/qs_tddfpt2_stda_utils.F:385:57: @@ -61350,8 +61376,10 @@ 349 | TYPE(dbcsr_type), POINTER :: sm_h, sm_s | ^ note: 'sm_s' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_ks_apply_restraints.mod' due to: target does not exist +/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 /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))) @@ -61382,10 +61410,18 @@ 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 'qs_tddfpt2_soc_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="\"Sun Apr 13 06:33:56 +14 2025\"" -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/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 '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="\"Sun Apr 13 06:33:56 +14 2025\"" -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_scf_post_tb.mod' due to: target does not exist true +/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/src/mixed_cdft_methods.F:2634:74: 2634 | my_work_size, natom, bo, bo_conf) @@ -61404,8 +61440,8 @@ /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="\"Fri May 15 10:06:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:06:47 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:34:13 +14 2025\"" -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="\"Sun Apr 13 06:34:13 +14 2025\"" -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 'mixed_cdft_methods.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/hfx_ri_kp.F:1690:3: @@ -61686,8 +61722,13 @@ /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:07:14 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:14 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:37:01 +14 2025\"" -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="\"Sun Apr 13 06:37:01 +14 2025\"" -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 '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="\"Sun Apr 13 06:37:04 +14 2025\"" -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_commutators.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_moments.F:3217:13: @@ -61700,11 +61741,16 @@ 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 '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="\"Fri May 15 10:07:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/hfx_admm_utils.F:1397:31: + + 1397 | energy%ex = ehfx + ehfxrt + | ^ +Warning: 'ehfxrt' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/hfx_admm_utils.F:1152:77: + + 1152 | REAL(dp) :: eh1, ehfx, ehfxrt, eold + | ^ +note: 'ehfxrt' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_moments.F:802:25: 802 | nders, nkind, nm, nmom_build, nseta, nsetb, sgfa, sgfb @@ -61744,6 +61790,16 @@ 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/hfx_admm_utils.F:1090:22: + + 1090 | energy%ex = ehfx + | ^ +Warning: 'ehfx' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/hfx_admm_utils.F:970:69: + + 970 | REAL(dp) :: eh1, ehfx, eold + | ^ +note: 'ehfx' declared here /build/reproducible-path/cp2k-2025.1/src/qs_moments.F:669:16: 669 | IF (jatom == last_jatom) THEN @@ -61754,6 +61810,10 @@ 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 'hfx_admm_utils.mod' due to: target does not exist +true +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_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_ks_utils.F qs_ks_utils.F90 /build/reproducible-path/cp2k-2025.1/src/qs_moments.F:2299:10: 2299 | IF (my_com_nl) THEN @@ -61764,6 +61824,13 @@ 2248 | LOGICAL :: my_com_nl, my_velreprs | ^ note: 'my_com_nl' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rtp_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/rtp_admm_methods.F 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="\"Sun Apr 13 06:37:39 +14 2025\"" -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 +/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="\"Sun Apr 13 06:37:39 +14 2025\"" -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="\"Sun Apr 13 06:37:39 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/qs_moments.F:441:16: 441 | IF (jatom == last_jatom) THEN @@ -61792,83 +61859,89 @@ /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:37:47 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:37:47 +14 2025\"" -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:560: update target 'rtp_admm_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="\"Sun Apr 13 06:37:48 +14 2025\"" -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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:37:50 +14 2025\"" -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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:37:50 +14 2025\"" -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 /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="\"Sun Apr 13 06:37:50 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:37:51 +14 2025\"" -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 '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="\"Fri May 15 10:07:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:37:51 +14 2025\"" -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 /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/src/hfx_admm_utils.F:1397:31: - - 1397 | energy%ex = ehfx + ehfxrt - | ^ -Warning: 'ehfxrt' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/hfx_admm_utils.F:1152:77: - - 1152 | REAL(dp) :: eh1, ehfx, ehfxrt, eold - | ^ -note: 'ehfxrt' 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="\"Fri May 15 10:07:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:07:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:37:51 +14 2025\"" -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="\"Sun Apr 13 06:37:51 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:37:51 +14 2025\"" -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 '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="\"Fri May 15 10:07:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/hfx_admm_utils.F:1090:22: - - 1090 | energy%ex = ehfx - | ^ -Warning: 'ehfx' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/hfx_admm_utils.F:970:69: - - 970 | REAL(dp) :: eh1, ehfx, eold - | ^ -note: 'ehfx' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'hfx_admm_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="\"Sun Apr 13 06:37:51 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:37:51 +14 2025\"" -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 +/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_ks_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_ks_utils.F qs_ks_utils.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rtp_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/rtp_admm_methods.F rtp_admm_methods.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="\"Fri May 15 10:07:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Sun Apr 13 06:37:53 +14 2025\"" -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/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="\"Fri May 15 10:07:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'ec_efield_local.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ex_property_calculation.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:37:54 +14 2025\"" -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 'qs_efield_local.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/src/qs_ks_utils.F:1377:67: + + 1377 | csign*cdft_control%strength(igroup)) + | ^ +Warning: 'csign' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_ks_utils.F:1269:65: + + 1269 | REAL(KIND=dp) :: csign, dvol, fadm + | ^ +note: 'csign' was declared here +/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/Makefile:560: update target 'molecular_moments.mod' due to: target does not exist true +/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/src/qs_ks_utils.F:841:56: + + 841 | full_scaling = -dft_control%sic_scaling_a*nelec + | ^ +Warning: 'nelec' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_ks_utils.F:768:68: + + 768 | INTEGER :: i, nelec, nelec_a, nelec_b, nforce + | ^ +note: 'nelec' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_ks_utils.F:845:57: + + 845 | energy%hartree = energy%hartree + full_scaling*ener + | ^ +Warning: 'full_scaling' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_ks_utils.F:769:78: + + 769 | REAL(kind=dp) :: ener, full_scaling, scaling + | ^ +note: 'full_scaling' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_tddfpt2_properties.F:1154:28: 1154 | SUBROUTINE project_vector(vin, vout, mos_occ, matrix_s) @@ -61879,6 +61952,8 @@ 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 'rt_delta_pulse.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/qs_efield_berry.F:687:85: 687 | REAL(dp), DIMENSION(:, :, :), POINTER :: dcosab, dsinab, force_tmp @@ -61897,10 +61972,20 @@ 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 +/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:560: update target 'rtp_admm_methods.mod' due to: target does not exist +/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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:38:07 +14 2025\"" -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/Makefile:560: update target 'qs_ks_utils.mod' due to: target does not exist +true +/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="\"Sun Apr 13 06:38:08 +14 2025\"" -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/src/qs_tddfpt2_properties.F:840:64: 840 | CALL sort(weights_neg_abs_recv, INT(nexcs), inds) @@ -61921,23 +62006,18 @@ 661 | weights_recv | ^ note: 'weights_recv.dim[0].ubound' was declared here -/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: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_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 -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:07:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:07:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_tddfpt2_operators.mod' due to: target does not exist +/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 '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 +/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="\"Sun Apr 13 06:38:13 +14 2025\"" -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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:07:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'qs_loc_main.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="\"Sun Apr 13 06:38:19 +14 2025\"" -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/qs_efield_berry.F:516:96: 516 | dcosab(:, :, i), dsinab(:, :, i), ldab, work, ldab) @@ -61948,74 +62028,11 @@ 204 | REAL(dp), DIMENSION(:, :), POINTER :: cosab, iblock, rblock, sinab, work | ^ note: 'work.data' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_ks_utils.F:1377:67: - - 1377 | csign*cdft_control%strength(igroup)) - | ^ -Warning: 'csign' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_ks_utils.F:1269:65: - - 1269 | REAL(KIND=dp) :: csign, dvol, fadm - | ^ -note: 'csign' was declared here -/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="\"Fri May 15 10:07:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/qs_ks_utils.F:841:56: - - 841 | full_scaling = -dft_control%sic_scaling_a*nelec - | ^ -Warning: 'nelec' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_ks_utils.F:768:68: - - 768 | INTEGER :: i, nelec, nelec_a, nelec_b, nforce - | ^ -note: 'nelec' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_ks_utils.F:845:57: - - 845 | energy%hartree = energy%hartree + full_scaling*ener - | ^ -Warning: 'full_scaling' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_ks_utils.F:769:78: - - 769 | REAL(kind=dp) :: ener, full_scaling, scaling - | ^ -note: 'full_scaling' 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: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 -/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:2400:69: - - 2400 | !$ 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:2284:76: - - 2284 | kkind, na, natom, nb, nkind, np, slot - | ^ -note: 'natom' 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="\"Fri May 15 10:07:29 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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 'qs_ks_utils.mod' due to: target does not exist -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="\"Fri May 15 10:07:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:07:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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 'iao_analysis.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'ed_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/ed_analysis.F 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="\"Sun Apr 13 06:38:26 +14 2025\"" -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 @@ -62024,31 +62041,52 @@ /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="\"Fri May 15 10:07:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:38:27 +14 2025\"" -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="\"Sun Apr 13 06:38:27 +14 2025\"" -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="\"Sun Apr 13 06:38:27 +14 2025\"" -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="\"Fri May 15 10:07:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:38:29 +14 2025\"" -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:2400:69: + + 2400 | !$ 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:2284:76: + + 2284 | kkind, na, natom, nb, nkind, np, slot + | ^ +note: 'natom' 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:513: update target 'ed_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/ed_analysis.F 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="\"Sun Apr 13 06:38:34 +14 2025\"" -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 '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="\"Fri May 15 10:07:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:38:36 +14 2025\"" -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 'qs_efield_berry.mod' due to: target does not exist +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="\"Sun Apr 13 06:38:36 +14 2025\"" -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 '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/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="\"Fri May 15 10:07:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:38:47 +14 2025\"" -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/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_main.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 @@ -62059,8 +62097,6 @@ 1868 | kbc, kkind, na, natom, nb, nkind, np, & | ^ note: 'natom' was declared here -/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/src/ed_analysis.F:143:65: 143 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: atdet, atmul, mcharge, mweight @@ -62089,29 +62125,33 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_electric_field_gradient.F qs_electric_field_gradient.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_local_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_local_properties.F 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="\"Sun Apr 13 06:39:23 +14 2025\"" -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="\"Sun Apr 13 06:39:23 +14 2025\"" -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="\"Sun Apr 13 06:39:23 +14 2025\"" -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="\"Sun Apr 13 06:39:23 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_ks_reference.o' due 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_reference.F 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="\"Sun Apr 13 06:39:23 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_kpp1_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_kpp1_env_methods.F qs_kpp1_env_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'almo_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/almo_scf_qs.F almo_scf_qs.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_scf_post_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/qs_scf_post_se.F 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="\"Sun Apr 13 06:39:23 +14 2025\"" -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="\"Sun Apr 13 06:39:24 +14 2025\"" -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 /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="\"Fri May 15 10:07:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:39:24 +14 2025\"" -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 /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="\"Fri May 15 10:07:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:39:24 +14 2025\"" -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="\"Sun Apr 13 06:39:24 +14 2025\"" -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="\"Sun Apr 13 06:39:24 +14 2025\"" -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/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_local_properties.mod' due to: target does not exist +true /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) @@ -62122,11 +62162,7 @@ 116 | TYPE(qs_ks_env_type), POINTER :: ks_env | ^ 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 'ed_analysis.mod' due to: target does not exist -true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_local_properties.mod' due to: target does not exist +/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/src/qs_electric_field_gradient.F:332:52: @@ -62138,6 +62174,11 @@ 99 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :, :) :: efg_pw, efg_tensor | ^ note: 'efg_pw.dim[2].ubound' was declared here +/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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_velocity_gauge.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:39:43 +14 2025\"" -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:249:47: 249 | ALLOCATE (distr_new_array(nlength)) @@ -62148,11 +62189,17 @@ 130 | nblkrows_tot, nlength, nmols, row | ^ note: 'nlength' 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_linres_atom_current.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="\"Fri May 15 10:07:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Sun Apr 13 06:39:45 +14 2025\"" -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/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_ks_reference.mod' due to: target does not exist +true +/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/src/almo_scf_qs.F:1308:63: 1308 | rvdw=contact1_radius) @@ -62193,17 +62240,21 @@ 860 | distance, distance_squared, overlap, & | ^ note: 'overlap' 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_ks_reference.mod' due to: target does not exist -true -/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="\"Fri May 15 10:07:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_scf_post_se.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="\"Sun Apr 13 06:39:49 +14 2025\"" -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 +/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: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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:39:49 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:39:50 +14 2025\"" -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 +/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 '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="\"Sun Apr 13 06:39:51 +14 2025\"" -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 'qs_electric_field_gradient.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/xas_tdp_correction.F:516:46: @@ -62225,28 +62276,8 @@ 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_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 -/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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:07:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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="\"Fri May 15 10:07:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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:560: update target 'almo_scf_qs.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:07:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /build/reproducible-path/cp2k-2025.1/src/qs_outer_scf.F:482:44: 482 | ddapc_restraint_control%strength @@ -62267,18 +62298,18 @@ 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 'almo_scf_qs.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:40:01 +14 2025\"" -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/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="\"Fri May 15 10:07:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:40:04 +14 2025\"" -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/Makefile:560: update target 'optbas_fenv_manipulation.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:07:42 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/qs_outer_scf.F:143:84: 143 | scf_env%outer_scf%variables(:, ihistory) = ddapc_restraint_control%strength @@ -62289,11 +62320,21 @@ 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 '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="\"Sun Apr 13 06:40:07 +14 2025\"" -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/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="\"Fri May 15 10:07:43 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:40:08 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:40:11 +14 2025\"" -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/src/almo_scf_optimizer.F:3222:25: 3222 | SUBROUTINE split_v_blk(almo_scf_env) @@ -62309,24 +62350,27 @@ 4926 | SUBROUTINE opt_k_create_preconditioner(prec, vd_prop, f, x, oo_inv_x_tr, s, grad, & | ^ Warning: 'opt_k_create_preconditioner' defined but not used [-Wunused-function] -/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:07:43 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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/src/qs_linres_current.F:1289:37: + + 1289 | END FUNCTION encode_ardbmdarb_func + | ^ +Warning: 'func' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_linres_current.F:1262:56: + + 1262 | FUNCTION encode_ardbmdarb_func(idir, ir) RESULT(func) + | ^ +note: 'func' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_linres_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/qs_linres_kernel.F qs_linres_kernel.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'qs_2nd_kernel_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_2nd_kernel_ao.F 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="\"Sun Apr 13 06:40:14 +14 2025\"" -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 /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="\"Fri May 15 10:07:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Sun Apr 13 06:40:14 +14 2025\"" -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="\"Sun Apr 13 06:40:14 +14 2025\"" -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) @@ -62337,6 +62381,14 @@ 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 +true +/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:560: update target 'qs_scf_loop_utils.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/almo_scf_optimizer.F:7374:34: 7374 | my_numer = my_numer + num @@ -62357,34 +62409,23 @@ 7285 | REAL(KIND=dp) :: den, kappa, my_denom, my_numer, & | ^ note: 'den' 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 'qs_2nd_kernel_ao.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 +/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="\"Sun Apr 13 06:40:27 +14 2025\"" -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_tddfpt2_forces.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/src/qs_linres_current.F:1289:37: - - 1289 | END FUNCTION encode_ardbmdarb_func - | ^ -Warning: 'func' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_linres_current.F:1262:56: - - 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_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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_scf_loop_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="\"Fri May 15 10:07:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:40:28 +14 2025\"" -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:560: update target 'qs_linres_current.mod' due to: target does not exist true -/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="\"Fri May 15 10:07:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Sun Apr 13 06:40:36 +14 2025\"" -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/src/qs_tddfpt_eigensolver.F:292:19: 292 | IF (mode == 'L') THEN @@ -62395,24 +62436,34 @@ 180 | CHARACTER :: mode | ^ note: 'mode[1]{lb: 1 sz: 1}' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt_eigensolver.mod' due to: target does not exist -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="\"Fri May 15 10:07:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:07:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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="\"Fri May 15 10:07:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:40:41 +14 2025\"" -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="\"Sun Apr 13 06:40:41 +14 2025\"" -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/Makefile:560: update target 'qs_tddfpt_eigensolver.mod' due to: target does not exist +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="\"Sun Apr 13 06:40:43 +14 2025\"" -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 'transport.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="\"Sun Apr 13 06:40:50 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/mp2_cphf.F:1238:99: + + 1238 | scale_search - residual_new_dot_diff_search_vec_old/residual_dot_diff_search_vec_old + | ^ +Warning: 'residual_new_dot_diff_search_vec_old' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_cphf.F:1044:70: + + 1044 | residual_dot_search_vec, residual_new_dot_diff_search_vec_old, scale_result, & + | ^ +note: 'residual_new_dot_diff_search_vec_old' was declared here /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/almo_scf_optimizer.F:2046:64: @@ -62446,21 +62497,35 @@ 2041 | TYPE(dbcsr_p_type), DIMENSION(:, :), POINTER :: op_sm_set_almo, op_sm_set_qs | ^ Warning: 'op_sm_set_almo.data' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_cphf.F:1238:99: +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:41:07 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:41:07 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:41:07 +14 2025\"" -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="\"Sun Apr 13 06:41:07 +14 2025\"" -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="\"Sun Apr 13 06:41:07 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/mp2_cphf.F:518:41: - 1238 | scale_search - residual_new_dot_diff_search_vec_old/residual_dot_diff_search_vec_old - | ^ -Warning: 'residual_new_dot_diff_search_vec_old' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_cphf.F:1044:70: + 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:178:92: - 1044 | residual_dot_search_vec, residual_new_dot_diff_search_vec_old, scale_result, & - | ^ -note: 'residual_new_dot_diff_search_vec_old' was declared here -/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/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="\"Fri May 15 10:07:51 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 + 178 | do_exx, do_hfx, restore_p_screen + | ^ +note: 'restore_p_screen' was declared here /build/reproducible-path/cp2k-2025.1/src/almo_scf_optimizer.F:1321:84: 1321 | DO idim0 = 1, SIZE(op_sm_set_qs, 2) ! this loop is over miller ind @@ -62541,44 +62606,13 @@ 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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:07:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:07:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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:178:92: - - 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 '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="\"Fri May 15 10:07:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:41:18 +14 2025\"" -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_dcdr.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/src/qs_linres_current_utils.F:1131:56: @@ -62591,30 +62625,6 @@ 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/src/qs_vcd_ao.F:1701:69: - - 1701 | !$ 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:1565:81: - - 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_issc_utils.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) - | ^ -Warning: 'pv_xx_nc' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/motion/md_energies.F:265:86: - - 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 'md_energies.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/qs_environment.F:1347:87: 1347 | dispersion_env%parameter_file_name = dftb_control%dispersion_parameter_file @@ -62640,7 +62650,7 @@ 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 'qs_linres_current_utils.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/src/qs_environment.F:1334:42: @@ -62662,14 +62672,53 @@ 647 | TYPE(xtb_control_type), POINTER :: xtb_control | ^ note: 'xtb_control' was declared here +/build/reproducible-path/cp2k-2025.1/src/motion/md_energies.F:370:46: + + 370 | (simpar%v0 - cell%deth) + | ^ +Warning: 'pv_xx_nc' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/motion/md_energies.F:265:86: + + 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 'almo_scf_optimizer.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 +true +/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: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="\"Fri May 15 10:08:00 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:00 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:41:39 +14 2025\"" -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="\"Sun Apr 13 06:41:39 +14 2025\"" -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/src/qs_vcd_ao.F:1701:69: + + 1701 | !$ 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:1565:81: + + 1565 | kbc, kkind, na, natom, nb, nkind, np, & + | ^ +note: 'natom' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_eht_guess.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:41:49 +14 2025\"" -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 '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="\"Sun Apr 13 06:41:51 +14 2025\"" -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="\"Sun Apr 13 06:41:51 +14 2025\"" -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/src/response_solver.F:882:79: 882 | TYPE(pw_r3d_rs_type), DIMENSION(:), POINTER :: rho_r_aux, rho_r_gs, rho_r_t, rhoz_r, & @@ -62710,68 +62759,10 @@ 842 | eps_ppnl, exc, exc_aux_fit, fconv, & | ^ note: 'exc_aux_fit' was declared here -/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="\"Fri May 15 10:08:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_eht_guess.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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:08:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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/src/qs_vcd_ao.F:319:69: - - 319 | !$ 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:203:76: - - 203 | kkind, na, natom, nb, nkind, np, slot - | ^ -note: 'natom' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1099:52: - - 1099 | maxsgf_set, na1, na2, natom, nb1, nb2, ncoa, ncoa_full, ncob, ncob_full, nkind, nseta, & - | ^ -Warning: 'ncoa' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1433:130: - - 1433 | work(1:ncob, 1:nsgfa(iset)) = MATMUL(rhab(1:ncob, 1:ncoa, idir), sphi_a(1:ncoa, sgfa:sgfa + nsgfa(iset) - 1)) - | ^ -Warning: 'ncob' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1099:69: - - 1099 | maxsgf_set, na1, na2, natom, nb1, nb2, ncoa, ncoa_full, ncob, ncob_full, nkind, nseta, & - | ^ -note: 'ncob' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1431:41: - - 1431 | MATMUL(TRANSPOSE(sphi_a(1:ncoa, sgfa:sgfa + nsgfa(iset) - 1)), work(1:ncoa, 1:nsgfb(jset))) - | ^ -Warning: 'sgfa' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1100:29: - - 1100 | nsetb, nthread, sgfa, sgfb - | ^ -note: 'sgfa' was declared here -/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1436:41: - - 1436 | MATMUL(TRANSPOSE(sphi_b(1:ncob, sgfb:sgfb + nsgfb(jset) - 1)), work(1:ncob, 1:nsgfa(iset))) - | ^ -Warning: 'sgfb' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1100:35: - - 1100 | nsetb, nthread, sgfa, sgfb - | ^ -note: 'sgfb' was declared here /build/reproducible-path/cp2k-2025.1/src/qs_initial_guess.F:462:13: 462 | IF (not_read > 1) THEN @@ -62782,26 +62773,21 @@ 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 '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="\"Fri May 15 10:08:06 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:08:07 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:07 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'excited_states.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="\"Sun Apr 13 06:42:10 +14 2025\"" -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="\"Sun Apr 13 06:42:10 +14 2025\"" -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:560: update target 'qs_vcd_ao.mod' due to: target does not exist +/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="\"Sun Apr 13 06:42:15 +14 2025\"" -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 'excited_states.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="\"Fri May 15 10:08:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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 @@ -62810,17 +62796,17 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_param_methods.F pao_param_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'dm_ls_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/dm_ls_scf_methods.F 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="\"Sun Apr 13 06:42:21 +14 2025\"" -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 /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="\"Fri May 15 10:08:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:42:22 +14 2025\"" -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="\"Sun Apr 13 06:42:22 +14 2025\"" -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="\"Sun Apr 13 06:42:22 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/qs_gamma2kp.F 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="\"Fri May 15 10:08:11 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:42:28 +14 2025\"" -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/src/dm_ls_chebyshev.F:115:90: 115 | REAL(KIND=dp) :: chev_T, chev_T_dos, dummy1, final, frob_matrix, initial, interval_a, & @@ -62837,6 +62823,16 @@ | ^ Warning: 'aitchev_t.offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/dm_ls_chebyshev.F:119:69: Warning: 'aitchev_t.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:319:69: + + 319 | !$ 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:203:76: + + 203 | kkind, na, natom, nb, nkind, np, slot + | ^ +note: 'natom' was declared here /build/reproducible-path/cp2k-2025.1/src/dm_ls_scf_methods.F:899:56: 899 | xi = (scaled_homo_bound - scaled_lumo_bound) @@ -62857,11 +62853,11 @@ 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 +/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 '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 +/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 'pao_param_methods.mod' due to: target does not exist true @@ -62871,61 +62867,76 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/pao_param_exp.F pao_param_exp.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'pao_param_gth.o' 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_gth.F 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="\"Sun Apr 13 06:42:33 +14 2025\"" -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 /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="\"Fri May 15 10:08:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:42:33 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:42:34 +14 2025\"" -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="\"Sun Apr 13 06:42:34 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_im_time_force_types.mod' due to: target does not exist +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 /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:42:38 +14 2025\"" -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/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="\"Fri May 15 10:08:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'qs_vcd_utils.mod' due to: target does not exist -true -/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="\"Fri May 15 10:08:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:13 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/qs_mfp.F:1348:13: +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="\"Sun Apr 13 06:42:38 +14 2025\"" -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="\"Sun Apr 13 06:42:38 +14 2025\"" -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/src/qs_vcd_ao.F:1099:52: - 1348 | IF (jatom == last_jatom) THEN - | ^ -Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/qs_mfp.F:1270:84: + 1099 | maxsgf_set, na1, na2, natom, nb1, nb2, ncoa, ncoa_full, ncob, ncob_full, nkind, nseta, & + | ^ +Warning: 'ncoa' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1433:130: - 1270 | jatom, jkind, last_jatom, mepos, & - | ^ -note: 'last_jatom' was declared here + 1433 | work(1:ncob, 1:nsgfa(iset)) = MATMUL(rhab(1:ncob, 1:ncoa, idir), sphi_a(1:ncoa, sgfa:sgfa + nsgfa(iset) - 1)) + | ^ +Warning: 'ncob' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1099:69: + + 1099 | maxsgf_set, na1, na2, natom, nb1, nb2, ncoa, ncoa_full, ncob, ncob_full, nkind, nseta, & + | ^ +note: 'ncob' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1431:41: + + 1431 | MATMUL(TRANSPOSE(sphi_a(1:ncoa, sgfa:sgfa + nsgfa(iset) - 1)), work(1:ncoa, 1:nsgfb(jset))) + | ^ +Warning: 'sgfa' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1100:29: + + 1100 | nsetb, nthread, sgfa, sgfb + | ^ +note: 'sgfa' was declared here +/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1436:41: + + 1436 | MATMUL(TRANSPOSE(sphi_b(1:ncob, sgfb:sgfb + nsgfb(jset) - 1)), work(1:ncob, 1:nsgfa(iset))) + | ^ +Warning: 'sgfb' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_vcd_ao.F:1100:35: + + 1100 | nsetb, nthread, sgfa, sgfb + | ^ +note: 'sgfb' was declared here +/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 '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="\"Fri May 15 10:08:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Sun Apr 13 06:42:54 +14 2025\"" -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 '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="\"Fri May 15 10:08:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'qs_vcd.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="\"Sun Apr 13 06:42:59 +14 2025\"" -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/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_mfp.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="\"Fri May 15 10:08:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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:638:24: 638 | SUBROUTINE get_dummys(tj_dummy, tau_tj_dummy, weights_cos_tf_w_to_t_dummy) @@ -62946,47 +62957,95 @@ 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 '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="\"Sun Apr 13 06:43:11 +14 2025\"" -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 '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="\"Fri May 15 10:08:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:560: update target 'rpa_gw_kpoints_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="\"Sun Apr 13 06:43:18 +14 2025\"" -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/Makefile:513: update target 'mp2_ri_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/mp2_ri_2c.F mp2_ri_2c.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rpa_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_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="\"Fri May 15 10:08:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:19 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'qs_linres_module.mod' due to: target does not exist -true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:43:19 +14 2025\"" -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="\"Sun Apr 13 06:43:19 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:43:19 +14 2025\"" -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 /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_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="\"Fri May 15 10:08:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:43:24 +14 2025\"" -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 'qs_vcd_utils.mod' due to: target does not exist +true +/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="\"Sun Apr 13 06:43:31 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:43:31 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2761:54: + + 2761 | ALLOCATE (pgrid(0:pdims(1) - 1, 0:pdims(2) - 1)) + | ^ +Warning: 'pdims[0]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2690:96: + + 2690 | j_RI, jatom, lb_RI, n_RI, natom, ncoa, ncoms, nkind, nproc, nseta, o1, offset, pdims(2), & + | ^ +note: 'pdims[0]' was declared here +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2758:50: + + 2758 | col_dist(jatom) = MODULO(jatom, pdims(2)) + | ^ +Warning: 'pdims[1]' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2690:96: + + 2690 | j_RI, jatom, lb_RI, n_RI, natom, ncoa, ncoms, nkind, nproc, nseta, o1, offset, pdims(2), & + | ^ +note: 'pdims[1]' was declared here /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="\"Fri May 15 10:08:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:22 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/qs_mfp.F:1348:13: + + 1348 | IF (jatom == last_jatom) THEN + | ^ +Warning: 'last_jatom' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/qs_mfp.F:1270:84: + + 1270 | jatom, jkind, last_jatom, mepos, & + | ^ +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="\"Sun Apr 13 06:43:41 +14 2025\"" -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="\"Sun Apr 13 06:43:41 +14 2025\"" -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_io.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="\"Fri May 15 10:08:23 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:43:42 +14 2025\"" -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 'qs_vcd.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/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="\"Sun Apr 13 06:43:47 +14 2025\"" -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 '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="\"Fri May 15 10:08:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:43:48 +14 2025\"" -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) @@ -62997,13 +63056,15 @@ 809 | my_virt_start, proc, proc_shift, recv_proc, send_proc, virt_counter, virt_proc, group_size | ^ 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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_exchange.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="\"Sun Apr 13 06:43:58 +14 2025\"" -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 'qs_linres_module.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:08:25 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 @@ -63038,7 +63099,7 @@ 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="\"Fri May 15 10:08:29 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:44:13 +14 2025\"" -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/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 @@ -63047,42 +63108,18 @@ /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 /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="\"Fri May 15 10:08:29 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:29 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:29 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/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:1015:70: - - 1015 | INTEGER, ALLOCATABLE, DIMENSION(:) :: procs_recv - | ^ -note: 'procs_recv.dim[0].ubound' was declared here -/build/reproducible-path/cp2k-2025.1/src/mp2_integrals.F:910:39: - - 910 | END SUBROUTINE mp2_ri_gpw_compute_in - | ^ -Warning: 'intermed_mat_gw.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/mp2_integrals.F:287:89: - - 287 | DIMENSION(:) :: intermed_mat, intermed_mat_gw - | ^ -note: 'intermed_mat_gw.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="\"Sun Apr 13 06:44:13 +14 2025\"" -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="\"Sun Apr 13 06:44:13 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:44:13 +14 2025\"" -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 /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="\"Fri May 15 10:08:30 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:44:21 +14 2025\"" -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="\"Fri May 15 10:08:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:31 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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)) @@ -63103,25 +63140,49 @@ 945 | INTEGER, DIMENSION(maxspins) :: nmo_occ_avail, nmo_occ_selected, & | ^ note: 'nmo_occ_selected' declared here +/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="\"Sun Apr 13 06:44:22 +14 2025\"" -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="\"Sun Apr 13 06:44:22 +14 2025\"" -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 + | ^ +Warning: 'intermed_mat_gw.dim[0].ubound' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/mp2_integrals.F:287:89: + + 287 | DIMENSION(:) :: intermed_mat, intermed_mat_gw + | ^ +note: 'intermed_mat_gw.dim[0].ubound' was declared here /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:1015:70: + + 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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:08:32 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_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="\"Sun Apr 13 06:44:28 +14 2025\"" -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="\"Fri May 15 10:08:33 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:44:30 +14 2025\"" -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/Makefile:560: update target 'mp2_integrals.mod' due to: target does not exist true +/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/src/rpa_gw.F:4868:55: 4868 | energy_val = qp_energy - e_fermi - hedin_shift @@ -63142,21 +63203,6 @@ 4344 | level_energ_GW_start, omega, & | ^ note: 'level_energ_gw_start' was declared here -/build/reproducible-path/cp2k-2025.1/src/rpa_gw.F:3837:63: - - 3837 | /REAL(degeneracy, KIND=dp) - | ^ -Warning: 'first_degenerate_level' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rpa_gw.F:3785:51: - - 3785 | INTEGER :: degeneracy, first_degenerate_level, i_deg_level, i_level_gw, j_deg_level, jquad, & - | ^ -note: 'first_degenerate_level' was declared here -/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="\"Fri May 15 10:08:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 @@ -63167,13 +63213,30 @@ 1447 | REAL(KIND=dp) :: alpha, alpha_ls, factor, norm_ls | ^ note: 'alpha_ls' was declared here +/build/reproducible-path/cp2k-2025.1/src/rpa_gw.F:3837:63: + + 3837 | /REAL(degeneracy, KIND=dp) + | ^ +Warning: 'first_degenerate_level' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/rpa_gw.F:3785:51: + + 3785 | INTEGER :: degeneracy, first_degenerate_level, i_deg_level, i_level_gw, j_deg_level, jquad, & + | ^ +note: 'first_degenerate_level' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation_methods.mod' due to: target does not exist 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="\"Fri May 15 10:08:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:44:44 +14 2025\"" -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/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="\"Sun Apr 13 06:44:47 +14 2025\"" -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 'qs_tddfpt2_eigensolver.mod' due to: target does not exist true +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_im_time_force_methods.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/qs_scf.F:293:45: 293 | scf_control%max_scf = max_scf_tmp @@ -63202,21 +63265,18 @@ /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="\"Fri May 15 10:08:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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="\"Fri May 15 10:08:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagator_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="\"Sun Apr 13 06:44:50 +14 2025\"" -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="\"Sun Apr 13 06:44:50 +14 2025\"" -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="\"Sun Apr 13 06:44:50 +14 2025\"" -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 /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" | 1 Warning: CHARACTER expression will be truncated in assignment (80/89) at (1) [-Wcharacter-truncation] +/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:560: update target 'tip_scan_methods.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 @@ -63237,7 +63297,7 @@ 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 'tip_scan_methods.mod' due to: target does not exist +/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 true @@ -63245,15 +63305,28 @@ /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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'almo_scf.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="\"Sun Apr 13 06:45:08 +14 2025\"" -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="\"Sun Apr 13 06:45:08 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_gw.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:08:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:08:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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 +/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 'qs_tddfpt2_fprint.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:45:09 +14 2025\"" -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: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="\"Fri May 15 10:08:40 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:45:09 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:45:09 +14 2025\"" -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="\"Sun Apr 13 06:45:17 +14 2025\"" -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 '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 @@ -63324,13 +63397,6 @@ 148 | TYPE(kpoint_type), POINTER :: kpoints, kpoints_Sigma | ^ note: 'kpoints_sigma' was declared here -/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="\"Fri May 15 10:08:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -true /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: @@ -63343,13 +63409,13 @@ 149 | nstate_max, nstates, nvirt, old_state | ^ note: 'nstates' declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'qs_tddfpt2_methods.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_methods.mod' due to: target does not exist 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="\"Fri May 15 10:08:46 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:45:44 +14 2025\"" -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 'qs_tddfpt2_methods.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)) @@ -63398,6 +63464,8 @@ 2051 | REAL(dp), DIMENSION(:), POINTER :: lr_evals | ^ note: 'lr_evals.dim[0].ubound' was declared here +/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/src/xas_tdp_methods.F:2199:28: 2199 | ndo_so = ndo_mo*nspins @@ -63434,6 +63502,9 @@ 2171 | REAL(dp), DIMENSION(:), POINTER :: lr_evals, osc_str | ^ note: 'lr_evals.dim[0].ubound' was declared here +/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="\"Sun Apr 13 06:46:07 +14 2025\"" -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/src/xas_tdp_methods.F:2549:28: 2549 | ndo_so = ndo_mo*nspins @@ -63473,41 +63544,6 @@ note: 'lr_evals.dim[0].ubound' was declared here /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'xas_tdp_methods.mod' due to: target does not exist true -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_im_time_force_types.mod' due to: target does not exist -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="\"Fri May 15 10:09:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2761:54: - - 2761 | ALLOCATE (pgrid(0:pdims(1) - 1, 0:pdims(2) - 1)) - | ^ -Warning: 'pdims[0]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2690:96: - - 2690 | j_RI, jatom, lb_RI, n_RI, natom, ncoa, ncoms, nkind, nproc, nseta, o1, offset, pdims(2), & - | ^ -note: 'pdims[0]' was declared here -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2758:50: - - 2758 | col_dist(jatom) = MODULO(jatom, pdims(2)) - | ^ -Warning: 'pdims[1]' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/rpa_im_time_force_methods.F:2690:96: - - 2690 | j_RI, jatom, lb_RI, n_RI, natom, ncoa, ncoms, nkind, nproc, nseta, o1, offset, pdims(2), & - | ^ -note: 'pdims[1]' was declared here -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rpa_im_time_force_methods.mod' due to: target does not exist -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="\"Fri May 15 10:09:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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="\"Fri May 15 10:09:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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 @@ -63516,9 +63552,9 @@ /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="\"Fri May 15 10:09:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:09:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:09:49 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:46:31 +14 2025\"" -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="\"Sun Apr 13 06:46:31 +14 2025\"" -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="\"Sun Apr 13 06:46:31 +14 2025\"" -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.) @@ -63529,33 +63565,13 @@ 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:2533:30: 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/src/gw_utils.F:1784:40: - - 1784 | E_min = MIN(E_min, E_min_ispin) - | ^ -Warning: 'e_min_ispin' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/gw_utils.F:1751:98: - - 1751 | REAL(KIND=dp) :: E_max, E_max_ispin, E_min, E_min_ispin, & - | ^ -note: 'e_min_ispin' was declared here -/build/reproducible-path/cp2k-2025.1/src/gw_utils.F:1785:40: - - 1785 | E_max = MAX(E_max, E_max_ispin) - | ^ -Warning: 'e_max_ispin' may be used uninitialized [-Wmaybe-uninitialized] -/build/reproducible-path/cp2k-2025.1/src/gw_utils.F:1751:78: - - 1751 | REAL(KIND=dp) :: E_max, E_max_ispin, E_min, E_min_ispin, & - | ^ -note: 'e_max_ispin' was declared here +/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:1438:25: 1438 | IF (print1 .AND. iw > 0) THEN @@ -63622,6 +63638,26 @@ 1234 | TYPE(pw_r3d_rs_type), POINTER :: wfn1, wfn2, wfn3, wfn4 | ^ note: 'wfn4' was declared here +/build/reproducible-path/cp2k-2025.1/src/gw_utils.F:1784:40: + + 1784 | E_min = MIN(E_min, E_min_ispin) + | ^ +Warning: 'e_min_ispin' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/gw_utils.F:1751:98: + + 1751 | REAL(KIND=dp) :: E_max, E_max_ispin, E_min, E_min_ispin, & + | ^ +note: 'e_min_ispin' was declared here +/build/reproducible-path/cp2k-2025.1/src/gw_utils.F:1785:40: + + 1785 | E_max = MAX(E_max, E_max_ispin) + | ^ +Warning: 'e_max_ispin' may be used uninitialized [-Wmaybe-uninitialized] +/build/reproducible-path/cp2k-2025.1/src/gw_utils.F:1751:78: + + 1751 | REAL(KIND=dp) :: E_max, E_max_ispin, E_min, E_min_ispin, & + | ^ +note: 'e_max_ispin' was declared here /build/reproducible-path/cp2k-2025.1/src/gw_utils.F:1407:65: 1407 | ipcol, ipcol_loop, iprow, iprow_loop, & @@ -63638,8 +63674,8 @@ /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="\"Fri May 15 10:09:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:09:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:47:09 +14 2025\"" -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="\"Sun Apr 13 06:47:09 +14 2025\"" -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:1303:36: @@ -63647,8 +63683,6 @@ 1303 | SUBROUTINE mat_ikp_from_mat_Gamma(mat_ikp_re, mat_ikp_im, mat_Gamma, kpoints, ikp, qs_env) | ^ Warning: 'mat_ikp_from_mat_gamma' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_small_cell_full_kp.mod' due to: target does not exist -true /build/reproducible-path/cp2k-2025.1/src/gw_large_cell_gamma.F:2138:78: 2138 | REAL(100*n_skip, KIND=dp)/REAL(i_intval_idx*j_intval_idx, KIND=dp), ' %' @@ -63659,54 +63693,54 @@ 2119 | INTEGER :: handle, i_intval_idx, j_intval_idx, & | ^ note: 'j_intval_idx' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_small_cell_full_kp.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'gw_large_cell_gamma.mod' due to: target does not exist true /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'gw_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/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="\"Fri May 15 10:10:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:02 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:47:25 +14 2025\"" -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="\"Sun Apr 13 06:47:25 +14 2025\"" -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="\"Fri May 15 10:10:03 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:47:37 +14 2025\"" -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="\"Fri May 15 10:10:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:47:41 +14 2025\"" -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="\"Fri May 15 10:10:08 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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="\"Fri May 15 10:10:08 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:47:57 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:47:58 +14 2025\"" -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 '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 '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 '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="\"Fri May 15 10:10:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:10 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:11 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:48:10 +14 2025\"" -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 +/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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:48:10 +14 2025\"" -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="\"Sun Apr 13 06:48:10 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:48:10 +14 2025\"" -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 /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 -true /build/reproducible-path/cp2k-2025.1/src/negf_env_types.F:1034:13: 1034 | IF (imo == 0) THEN @@ -63717,21 +63751,23 @@ 978 | INTEGER :: handle, homo, ikpgr, ikpoint, imo, & | ^ note: 'imo' was declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'bsse.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'negf_env_types.mod' due to: target does not exist 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="\"Fri May 15 10:10:15 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:48:29 +14 2025\"" -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="\"Fri May 15 10:10:16 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:48:35 +14 2025\"" -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="\"Fri May 15 10:10:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:48:42 +14 2025\"" -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:1398:81: 1398 | gret_gamma_gadv_group @@ -63782,7 +63818,7 @@ 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="\"Fri May 15 10:10:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:48:51 +14 2025\"" -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: @@ -63841,40 +63877,40 @@ /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:49:20 +14 2025\"" -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 +/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="\"Fri May 15 10:10:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:49:20 +14 2025\"" -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="\"Sun Apr 13 06:49:20 +14 2025\"" -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="\"Sun Apr 13 06:49:20 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:49:20 +14 2025\"" -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 /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="\"Fri May 15 10:10:28 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'ipi_driver.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:49:26 +14 2025\"" -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 '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/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" +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_bse_types.o rt_delta_pulse.o rt_propagation_methods.o rt_make_propagators.o rt_propagation_output.o rt_propagation_utils.o rt_hfx_utils.o rt_bse_io.o rt_projection_mo_utils.o rt_bse.o rt_propagator_init.o +ar: /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_bse.mod' due to: target does not exist +true +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:1235:21: 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_make_propagators.o rt_delta_pulse.o rt_hfx_utils.o rt_bse.o rt_propagation_output.o rt_bse_types.o rt_propagation_methods.o rt_propagation_utils.o rt_propagator_init.o rt_projection_mo_utils.o rt_bse_io.o -ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kemd.a /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 @@ -63883,15 +63919,15 @@ /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:49:46 +14 2025\"" -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="\"Sun Apr 13 06:49:46 +14 2025\"" -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 /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:49:47 +14 2025\"" -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 /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="\"Fri May 15 10:10:33 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:33 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:33 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:33 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:33 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:49:47 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:49:47 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_control.F:290:54: 290 | atom_symbols(iunit) = atom_names(iunit, 1) @@ -63903,6 +63939,8 @@ /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:49:53 +14 2025\"" -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="\"Sun Apr 13 06:49:53 +14 2025\"" -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/src/tmc/tmc_calculations.F:134:31: 134 | conf%potential = e_pot @@ -63923,38 +63961,46 @@ 74 | REAL(KIND=dp) :: e_pot, rnd | ^ note: 'e_pot' 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="\"Fri May 15 10:10:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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="\"Fri May 15 10:10:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:34 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:49:55 +14 2025\"" -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="\"Sun Apr 13 06:49:55 +14 2025\"" -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 'pint_types.mod' due to: target does not exist true +/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 '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_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 /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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:49:58 +14 2025\"" -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 /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:560: update target 'mc_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="\"Sun Apr 13 06:49:58 +14 2025\"" -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 +/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="\"Sun Apr 13 06:49:58 +14 2025\"" -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="\"Sun Apr 13 06:49:58 +14 2025\"" -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/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="\"Fri May 15 10:10:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:10:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:49:59 +14 2025\"" -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="\"Sun Apr 13 06:49:59 +14 2025\"" -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/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:106:85: + + 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/src/motion/pint_public.F:77:3: 77 | PURE FUNCTION pint_cog_pos(pint_env) RESULT(cntrd_r) @@ -63971,40 +64017,30 @@ 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 'pint_pile.mod' due to: target does not exist -true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:10:35 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:10:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: - - 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:106:85: - - 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_pile.mod' due to: target does not exist +true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:50:02 +14 2025\"" -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/Makefile:560: update target 'optimize_basis.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: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/Makefile:560: update target 'pint_normalmode.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="\"Fri May 15 10:10:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:50:05 +14 2025\"" -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 /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 '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 /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="\"Fri May 15 10:10:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:50:05 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:50:05 +14 2025\"" -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/src/motion/helium_common.F:1454:3: 1454 | PURE FUNCTION helium_bead_rij(helium, ia, ib, ja, jb) RESULT(rij) @@ -64055,13 +64091,6 @@ 2446 | PURE FUNCTION helium_rperpendicular(helium, ia, ib) RESULT(rperp) | ^ Warning: 'helium_rperpendicular' defined but not used [-Wunused-function] -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_dot_tree.mod' due to: target does not exist -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 -/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="\"Fri May 15 10:10:36 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/src/motion/helium_common.F:350:31: 350 | DEALLOCATE (used_indices) @@ -64072,19 +64101,25 @@ 314 | INTEGER, DIMENSION(:), POINTER :: cur_cycle, used_indices | ^ note: 'used_indices' declared here +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_dot_tree.mod' due to: target does not exist +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="\"Sun Apr 13 06:50:07 +14 2025\"" -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/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_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="\"Fri May 15 10:10:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:50:09 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:50:09 +14 2025\"" -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 /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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:10:37 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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 @@ -64105,57 +64140,56 @@ 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="\"Sun Apr 13 06:50:10 +14 2025\"" -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="\"Fri May 15 10:10:38 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:50:14 +14 2025\"" -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="\"Fri May 15 10:10:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:50:14 +14 2025\"" -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 '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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:10:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:39 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:50:16 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:50:16 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:50:16 +14 2025\"" -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 /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 '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="\"Sun Apr 13 06:50:22 +14 2025\"" -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/src/mode_selective.F:844:100: 844 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:, :) :: approx_H, H_save, residuum, tmp_b, tmp_s | ^ Warning: 'tmp_s.offset' may be used uninitialized [-Wmaybe-uninitialized] /build/reproducible-path/cp2k-2025.1/src/mode_selective.F:844:100: Warning: 'tmp_s.dim[1].stride' may be used uninitialized [-Wmaybe-uninitialized] -/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="\"Fri May 15 10:10:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:50:28 +14 2025\"" -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 /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="\"Fri May 15 10:10:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:41 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 '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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:50:28 +14 2025\"" -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="\"Sun Apr 13 06:50:28 +14 2025\"" -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/src/mode_selective.F:121:67: 121 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: tmp_dip @@ -64183,15 +64217,10 @@ 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/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_core_hamiltonian.o qs_gamma2kp.o qs_band_structure.o mp2_setup.o atom_types.o lri_environment_init.o atom_utils.o csvr_system_types.o lri_optimize_ri_basis.o qs_scf_lanczos.o energy_corrections.o shg_integrals_test.o fp_methods.o xas_tp_scf.o atom_sgp.o mixed_cdft_utils.o qs_efield_berry.o pao_param_exp.o qs_scf_post_gpw.o qs_dftb_matrices.o qs_tensors_types.o input_cp2k_se.o input_cp2k_external.o farming_methods.o qs_chargemol.o efield_utils.o qs_scf_block_davidson.o atom_grb.o qs_linres_op.o manybody_tersoff.o rpa_gw.o mp2_ri_grad_util.o basis_set_output.o fist_energy_types.o input_cp2k_print_dft.o group_dist_types.o qs_nonscf.o mp2_gpw_method.o hfx_derivatives.o topology_constraint_util.o qs_ks_utils.o negf_integr_simpson.o pao_param_gth.o qs_ks_types.o mp2.o hfx_load_balance_methods.o qs_tddfpt2_soc_types.o topology_xyz.o qs_cdft_types.o qs_tddfpt2_utils.o xtb_parameters.o negf_green_methods.o qs_scf_diagonalization.o manybody_eam.o qs_dftb_parameters.o qs_kernel_types.o gw_communication.o se_core_core.o pexsi_methods.o input_cp2k_mixed.o xtb_coulomb.o constraint_3x3.o qmmm_se_forces.o qmmm_se_energy.o xtb_types.o qs_linres_module.o bsse.o almo_scf_types.o cp_dbcsr_operations.o hfx_admm_utils.o qs_linres_polar_utils.o qs_subsys_methods.o qs_rho0_types.o pao_param_fock.o cp_subsys_methods.o surface_dipole.o paw_proj_set_types.o xtb_hab_force.o qs_force_types.o constraint_util.o force_fields_input.o core_ppl.o qs_gcp_types.o mp2_eri_gpw.o core_ppnl.o pao_ml_gaussprocess.o pao_ml_descriptor.o input_cp2k_projection_rtp.o ct_types.o qs_fb_atomic_matrix_methods.o fist_neighbor_list_control.o mao_methods.o force_env_methods.o bse_properties.o almo_scf_diis_types.o outer_scf_control_types.o dm_ls_scf_curvy.o optimize_input.o xas_env_types.o rt_propagation_types.o preconditioner_makes.o ewalds_multipole.o qs_linres_epr_nablavks.o xtb_matrices.o smeagol_emtoptions.o qs_mom_methods.o input_cp2k_scf.o semi_empirical_int_num.o rpa_communication.o qs_linres_methods.o qcschema.o qs_vcd_ao.o xtb_ehess_force.o qs_active_space_utils.o cp2k_debug.o qs_dispersion_d3.o force_env_utils.o input_cp2k_mm.o almo_scf_env_methods.o qs_loc_methods.o input_cp2k_exstate.o qs_mom_types.o qs_eht_guess.o fist_efield_methods.o qmmm_force.o qs_basis_rotation_methods.o hirshfeld_methods.o qs_rho_atom_methods.o qs_cdft_scf_utils.o hfx_communication.o qs_density_mixing_types.o cp_realspace_grid_init.o ex_property_calculation.o qs_linres_nmr_epr_common_utils.o qs_nonscf_utils.o topology_amber.o mol_force.o fist_neighbor_lists.o ewalds.o qs_neighbor_lists.o qmmm_types_low.o pao_param_methods.o optimize_embedding_potential.o mp2_cphf.o topology_xtl.o sockets_interface.o mp2_direct_method.o qs_localization_methods.o negf_env_types.o qs_neighbor_list_types.o embed_types.o input_cp2k_free_energy.o fist_pol_scf.o qs_fb_matrix_data_types.o atomic_charges.o qs_oce_methods.o qs_2nd_kernel_ao.o hartree_local_types.o qs_energy_window.o qs_loc_states.o qs_fb_input.o qmmm_per_elpot.o input_cp2k_as.o mdctrl_types.o qs_period_efield_types.o farming_types.o kpoint_io.o qmmmx_types.o qs_fb_env_methods.o qs_cdft_methods.o xas_control.o qmmm_pw_grid.o kg_correction.o qs_sccs.o atom_admm_methods.o qs_cdft_utils.o replica_methods.o qs_dispersion_d4.o pao_ml.o input_cp2k_field.o xas_tdp_methods.o mp2_eri.o constraint_clv.o admm_dm_types.o input_cp2k_kpoints.o qs_fb_filter_matrix_methods.o cp_ddapc_util.o topology_coordinate_util.o pao_potentials.o rtp_admm_methods.o qs_energy_utils.o optimize_basis_utils.o qs_tddfpt2_operators.o nnp_environment_types.o graphcon.o maxwell_solver_interface.o input_cp2k_harris.o rpa_gw_kpoints_util.o qs_mo_io.o xas_tdp_correction.o population_analyses.o qmmm_ff_fist.o manybody_potential.o minbas_wfn_analysis.o negf_integr_cc.o free_energy_types.o ewald_pw_types.o qs_linres_atom_current.o qs_scf_initialization.o input_cp2k_loc.o xas_tdp_kernel.o hfx_pw_methods.o rpa_sigma_functional.o ipi_environment_types.o qs_tddfpt_eigensolver.o qs_tddfpt2_fprint.o ls_matrix_exp.o qs_integrate_potential.o qs_overlap.o negf_subgroup_types.o splines_types.o rt_propagation_velocity_gauge.o mulliken.o beta_gamma_psi.o rpa_gw_ic.o libgrpp_integrals.o qs_ks_atom.o mp2_ri_grad.o qs_kind_types.o qs_gcp_method.o iterate_matrix.o hartree_local_methods.o sirius_interface.o eeq_input.o qs_ot.o colvar_utils.o atom_output.o rpa_im_time_force_types.o input_cp2k_negf.o topology_connectivity_util.o eip_silicon.o hfx_energy_potential.o mixed_environment_types.o dm_ls_scf_types.o constraint_fxd.o excited_states.o qs_energy.o rpa_exchange.o qs_gcp_utils.o qs_dispersion_cnum.o qs_tddfpt2_subgroups.o ct_methods.o uff_vdw_radii_table.o transport_env_types.o post_scf_bandstructure_methods.o force_fields_util.o pao_methods.o qs_local_properties.o embed_main.o input_cp2k_transport.o qs_subsys_types.o libint_wrapper.o qs_scf_loop_utils.o se_fock_matrix_dbg.o fp_types.o motion_utils.o qs_basis_gradient.o se_fock_matrix_integrals.o distribution_methods.o qs_tddfpt2_restart.o qs_linres_kernel.o input_cp2k_ec.o qs_dftb_types.o qs_integrate_potential_product.o lri_environment_methods.o metadynamics_types.o colvar_methods.o qs_update_s_mstruct.o pw_env_methods.o qmmm_gaussian_init.o smeagol_matrix_utils.o mao_wfn_analysis.o qs_environment.o xc_pot_saop.o iao_analysis.o ipi_server.o pao_ml_neuralnet.o atom.o hdf5_wrapper.o admm_utils.o metadynamics_utils.o topology_input.o hfx_types.o xtb_eeq.o semi_empirical_utils.o bse_util.o pexsi_interface.o kg_environment.o hirshfeld_types.o atom_upf.o et_coupling_proj.o qs_electric_field_gradient.o ec_env_types.o force_field_types.o commutator_rpnl.o qs_gapw_densities.o exstates_types.o cp_ddapc.o hfx_exx.o input_cp2k_pwdft.o min_basis_set.o input_optimize_basis.o qmmm_gaussian_data.o restraint.o mp2_integrals.o dm_ls_scf_create.o qs_tddfpt2_stda_types.o hfx_ri_kp.o mixed_main.o input_cp2k_global.o spglib_f08.o transport.o lri_compression.o xas_tdp_atom.o torch_api.o atoms_input.o qs_tddfpt2_methods.o atom_basis.o dm_ls_scf.o pao_model.o cp_dbcsr_diag.o negf_vectors.o simpar_types.o semi_empirical_mpole_types.o mm_collocate_potential.o negf_control_types.o input_cp2k_subsys.o dgemm_counter_types.o minbas_methods.o qs_tensors.o qs_linres_nmr_shift.o optbas_fenv_manipulation.o et_coupling.o cp_dbcsr_output.o auto_basis.o pair_potential_util.o qs_mo_types.o qs_scf_post_tb.o qs_ks_reference.o fist_main.o optbas_opt_utils.o mscfg_types.o xas_tdp_integrals.o qs_initial_guess.o global_types.o qmmm_gpw_energy.o negf_green_cache.o rpa_im_time_force_methods.o mixed_environment.o qs_efield_local.o kg_environment_types.o rmsd.o qmmm_image_charge.o ec_orth_solver.o rpa_im_time.o input_restart_rng.o cp_dbcsr_cp2k_link.o matrix_exp.o pao_linpot_rotinv.o rpa_gw_im_time_util.o qs_linres_current_utils.o mao_optimizer.o input_cp2k_opt.o pao_param_equi.o dm_ls_chebyshev.o input_cp2k_almo.o semi_empirical_integrals.o qs_grid_atom.o qs_nl_hash_table_types.o qs_dcdr.o qs_wf_history_methods.o cp_control_types.o qs_scf_post_scf.o qs_rho_atom_types.o qs_dispersion_utils.o domain_submatrix_methods.o qs_dcdr_utils.o manybody_allegro.o mp2_gpw.o rpa_rse.o se_fock_matrix_coulomb.o qs_operators_ao.o gw_utils.o qs_scf_post_se.o atom_energy.o smeagol_interface.o qs_active_space_types.o xas_tdp_utils.o qs_oce_types.o pw_poisson_read_input.o negf_integr_utils.o mixed_cdft_types.o kg_vertex_coloring_methods.o qs_dispersion_pairpot.o mp2_laplace.o fist_environment_types.o gw_large_cell_gamma.o se_core_matrix.o atom_operators.o qs_rho_types.o xas_restart.o moments_utils.o manybody_gal21.o trexio_utils.o semi_empirical_int3_utils.o pao_linpot_full.o almo_scf_methods.o hfx_compression_methods.o qmmm_gpw_forces.o input_cp2k_eip.o qmmm_init.o qs_wannier90.o header.o pme.o qs_local_rho_types.o pao_param.o replica_types.o localization_tb.o mp2_optimize_ri_basis.o topology_cif.o qmmm_util.o rpa_gw_sigma_x.o mp2_ri_2c.o input_cp2k_read.o qs_kinetic.o constraint.o trexio.o input_optimize_input.o ec_methods.o qs_integral_utils.o input_cp2k_poisson.o cp_external_control.o xray_diffraction.o qs_vcd_utils.o stm_images.o atom_fit.o library_tests.o input_cp2k_ls.o input_cp2k_thermostats.o dm_ls_scf_qs.o mixed_energy_types.o qs_ks_qmmm_methods.o mm_mapping_library.o kpoint_types.o commutator_rkinetic.o lri_ks_methods.o cryssym.o semi_empirical_types.o qs_dftb_dispersion.o topology_gromos.o bse_iterative.o fermi_utils.o qs_fermi_contact.o hfx_ri.o qs_kernel_methods.o qs_tddfpt2_lri_utils.o topology_psf.o qs_loc_types.o qs_charges_types.o input_cp2k_check.o qs_o3c_types.o semi_empirical_int_arrays.o kpoint_methods.o ewald_spline_util.o qs_fb_hash_table_types.o splines_methods.o qs_outer_scf.o qs_dispersion_d2.o ec_environment.o topology_types.o eip_environment.o s_square_methods.o atom_kind_orbitals.o qs_ks_apply_restraints.o qs_tddfpt2_densities.o semi_empirical_expns3_types.o qs_resp.o qs_tddfpt2_forces.o qs_tddfpt2_properties.o pao_optimizer.o se_fock_matrix.o pao_main.o xas_tdp_types.o sap_kind_types.o virial_methods.o tip_scan_types.o qs_tddfpt2_soc.o qmmmx_create.o qs_collocate_density.o cp_dbcsr_cholesky.o manybody_quip.o se_fock_matrix_exchange.o qs_elf_methods.o spme.o qs_external_density.o post_scf_bandstructure_utils.o qs_scf_wfn_mix.o semi_empirical_int_ana.o mode_selective.o almo_scf_qs.o input_restart_force_eval.o xtb_potentials.o extended_system_types.o topology_multiple_unit_cell.o input_cp2k_neb.o semi_empirical_int_debug.o qs_environment_types.o generic_os_integrals.o qmmm_topology_util.o input_cp2k_atom.o topology.o pwdft_environment_types.o distribution_2d_types.o topology_cp2k.o post_scf_bandstructure_types.o xc_adiabatic_methods.o input_cp2k_voronoi.o lri_forces.o fist_neighbor_list_types.o optimize_basis_types.o qs_linres_epr_ownutils.o hfx_pair_list_methods.o pao_input.o semi_empirical_expns3_methods.o mscfg_methods.o integration_grid_types.o taper_types.o admm_types.o qs_ot_scf.o qs_block_davidson_types.o mixed_environment_utils.o fist_nonbond_force.o force_fields.o qs_commutators.o exclusion_types.o fist_environment.o semi_empirical_int_utils.o qs_tddfpt_utils.o input_cp2k_nnp.o qs_tddfpt2_types.o nnp_acsf.o mixed_cdft_methods.o pair_potential.o qs_energy_init.o qmmm_gaussian_types.o molecular_dipoles.o qs_cdft_opt_types.o block_p_types.o manybody_siepmann.o qs_harmonics_atom.o hfx_screening_methods.o qs_scf_output.o kpoint_coulomb_2c.o qs_loc_molecules.o submatrix_dissection.o eip_environment_types.o atom_optimization.o mp2_types.o debug_os_integrals.o preconditioner_solvers.o optimize_basis.o mao_types.o wannier90.o input_cp2k_smeagol.o manybody_gal.o input_constants.o qs_active_space_methods.o qs_spin_orbit.o qs_interactions.o rpa_grad.o rpa_util.o atom_xc.o cp_realspace_grid_cube.o eeq_data.o subcell_types.o pwdft_environment.o qs_o3c_methods.o smeagol_control_types.o qs_fb_com_tasks_types.o qs_vcd.o input_cp2k_properties_dft.o ec_external.o atom_pseudo.o negf_alloc_types.o cp_symmetry.o xc_adiabatic_utils.o lri_optimize_ri_basis_types.o qs_vxc.o semi_empirical_parameters.o constraint_vsite.o wannier_states_types.o input_cp2k_embed.o qmmmx_force.o manybody_nequip.o input_cp2k_distribution.o qs_rho0_methods.o input_cp2k_resp.o qs_tddfpt_types.o grrm_utils.o negf_matrix_utils.o qs_condnum.o qs_vxc_atom.o qs_density_matrices.o linesearch.o xtb_ks_matrix.o gw_main.o f77_interface.o mp2_grids.o pao_io.o kg_tnadd_mat.o qs_mfp.o qs_ot_types.o constraint_4x6.o external_potential_methods.o statistical_methods.o input_cp2k_xas.o fist_intra_force.o input_cp2k_colvar.o qs_dcdr_ao.o input_cp2k_atprop.o qs_linres_nmr_utils.o input_cp2k_qmmm.o molecular_states.o atom_electronic_structure.o qs_environment_methods.o qs_gspace_mixing.o mp2_ri_libint.o qs_moments.o qs_diis_types.o nnp_model.o qs_dftb_coulomb.o al_system_types.o dkh_main.o qs_loc_dipole.o core_ae.o pilaenv_hack.o mao_basis.o xtb_ehess.o qs_tddfpt2_assign.o admm_dm_methods.o qs_dftb_utils.o pao_types.o voronoi_interface.o qs_scf_csr_write.o input_cp2k_force_eval.o qs_diis.o qmmm_types.o qs_tddfpt2_smearing_methods.o input_cp2k_xc.o gle_system_types.o hfx_helpers.o semi_empirical_par_utils.o ed_analysis.o qs_fb_buffer_types.o input_cp2k_constraints.o qs_fb_env_types.o qs_linres_issc_utils.o task_list_types.o qs_ks_methods.o preconditioner_types.o particle_methods.o tip_scan_methods.o input_cp2k_binary_restarts.o qs_ks_qmmm_types.o qs_matrix_w.o qs_core_energies.o admm_methods.o preconditioner.o qs_fb_trial_fns_types.o et_coupling_types.o local_gemm_api.o qs_loc_main.o qs_dftb3_methods.o optimize_dmfet_potential.o force_fields_all.o qs_external_potential.o input_cp2k_restarts_util.o csvr_system_utils.o qmmmx_update.o cp_ddapc_methods.o cp_eri_mme_interface.o input_cp2k_motion_print.o qs_mo_methods.o rel_control_types.o qs_rho_methods.o qs_charge_mixing.o gw_small_cell_full_kp.o qmmm_tb_methods.o environment.o qmmm_tb_coulomb.o pair_potential_types.o negf_atom_map.o force_env_types.o topology_util.o qmmmx_util.o xc_write_output.o qs_dos.o qs_scf_methods.o qs_energy_types.o nnp_force.o rt_propagation_forces.o qs_dispersion_types.o atom_set_basis.o qs_tddfpt2_eigensolver.o xtb_hcore.o soc_pseudopotential_methods.o qs_tddfpt2_soc_utils.o qs_linres_current.o qs_tddfpt2_fhxc_forces.o bse_full_diag.o qs_kpp1_env_types.o qs_pdos.o qs_harris_types.o task_list_methods.o cp_control_utils.o gapw_1c_basis_set.o input_cp2k_qs.o ri_environment_methods.o molecular_moments.o semi_empirical_store_int_types.o qs_harris_utils.o deepmd_wrapper.o kpoint_transitional.o parallel_gemm_api.o lri_integrals.o pair_potential_coulomb.o qs_wf_history_types.o qs_epr_hyp.o input_cp2k_rsgrid.o qs_tddfpt2_stda_utils.o qmmm_gaussian_input.o qs_tddfpt2_fhxc.o submatrix_types.o molsym.o almo_scf_lbfgs_types.o ewald_environment_types.o qs_fxc.o qs_matrix_pools.o nnp_environment.o fist_force.o wannier_states.o force_fields_ext.o fist_nonbond_env_types.o libint_2c_3c.o qs_tddfpt_module.o qs_dispersion_nonloc.o efield_tb_methods.o qs_scf_types.o qs_fb_atomic_halo_types.o ewald_pw_methods.o almo_scf_optimizer.o response_solver.o qs_kpp1_env_methods.o cp2k_info.o negf_methods.o scf_control_types.o qs_scf.o gw_integrals.o qs_ot_eigensolver.o semi_empirical_int_gks.o qs_atomic_block.o input_cp2k_dft.o domain_submatrix_types.o gw_kp_to_real_space_and_back.o qs_fb_distribution_methods.o manybody_deepmd.o fist_efield_types.o input_cp2k_hfx.o qs_rho0_ggrid.o soc_pseudopotential_utils.o qmmm_links_methods.o xas_methods.o preconditioner_apply.o dm_ls_scf_methods.o iao_types.o hfx_libint_interface.o rpa_main.o ipi_driver.o qs_hash_table_functions.o qs_loc_utils.o ipi_environment.o pexsi_types.o qs_force.o scine_utils.o kpsym.o qs_p_env_methods.o lri_environment_types.o qs_linres_types.o input_cp2k_tb.o qs_p_env_types.o cp_ddapc_types.o eeq_method.o molden_utils.o qmmm_elpot.o qs_mixing_utils.o qs_integrate_potential_single.o qmmm_create.o bse_print.o input_cp2k_mp2.o topology_generate_util.o embed_environment.o semi_empirical_mpole_methods.o almo_scf.o pao_param_linpot.o qs_ot_minimizer.o pme_tools.o cp_ddapc_forces.o qs_mo_occupation.o mp2_ri_gpw.o qs_linres_epr_utils.o ewald_methods_tb.o topology_pdb.o metadynamics.o ec_efield_local.o qs_elec_field.o dft_plus_u.o cell_methods.o bse_main.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 /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_tree_acceptance.F:396:10: 396 | IF (parent_ready) THEN @@ -64202,43 +64231,52 @@ 362 | LOGICAL :: parent_ready | ^ note: 'parent_ready' 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/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 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'tmc_tree_acceptance.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:10:43 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmain.a input_cp2k_negf.o qs_harris_utils.o fermi_utils.o qmmm_ff_fist.o input_cp2k_mp2.o cp_ddapc_forces.o qs_ks_qmmm_methods.o constraint_4x6.o gw_utils.o bse_util.o xas_methods.o qs_matrix_pools.o f77_interface.o environment.o qs_rho_methods.o qs_moments.o se_fock_matrix_integrals.o admm_dm_methods.o min_basis_set.o qs_tddfpt2_fhxc_forces.o pao_potentials.o input_cp2k_restarts_util.o qs_dispersion_d3.o qs_overlap.o qs_kernel_methods.o almo_scf.o hfx_derivatives.o input_cp2k_smeagol.o population_analyses.o qs_ks_types.o trexio.o qs_tddfpt_module.o qs_fb_matrix_data_types.o hfx_pair_list_methods.o xtb_eeq.o input_cp2k_kpoints.o particle_methods.o replica_types.o lri_optimize_ri_basis_types.o pao_input.o mp2_cphf.o mao_methods.o ed_analysis.o qs_tensors.o fist_intra_force.o input_cp2k_print_dft.o transport.o distribution_2d_types.o qs_kernel_types.o molsym.o qs_subsys_types.o qs_hash_table_functions.o mp2_ri_grad.o mp2_grids.o rpa_im_time_force_types.o qs_fb_distribution_methods.o qs_scf_block_davidson.o paw_proj_set_types.o post_scf_bandstructure_types.o mp2_types.o force_env_types.o qs_fb_com_tasks_types.o virial_methods.o qs_ks_atom.o cp_dbcsr_cp2k_link.o fist_force.o semi_empirical_int_utils.o ls_matrix_exp.o qs_commutators.o gle_system_types.o et_coupling_proj.o spme.o almo_scf_types.o qs_vcd_ao.o qs_dcdr.o negf_subgroup_types.o semi_empirical_expns3_methods.o preconditioner_solvers.o rt_propagation_velocity_gauge.o tip_scan_types.o cp_realspace_grid_init.o mp2_ri_gpw.o bse_full_diag.o topology_xtl.o qs_charge_mixing.o qs_mixing_utils.o qs_atomic_block.o atom_electronic_structure.o rpa_rse.o qs_loc_main.o qs_tddfpt_eigensolver.o qs_tddfpt2_restart.o input_cp2k_xc.o qs_loc_methods.o dm_ls_scf.o qs_fb_buffer_types.o mao_basis.o atom_optimization.o qs_loc_types.o restraint.o qmmm_topology_util.o pme_tools.o task_list_types.o manybody_quip.o qmmmx_update.o qs_tddfpt2_forces.o semi_empirical_utils.o force_fields_ext.o qs_scf_diagonalization.o force_fields_all.o block_p_types.o qs_tddfpt2_methods.o preconditioner_types.o qcschema.o input_cp2k_neb.o ct_methods.o input_cp2k_ec.o qs_loc_states.o iao_analysis.o taper_types.o qs_gcp_method.o qmmm_tb_coulomb.o shg_integrals_test.o qs_linres_types.o qs_density_mixing_types.o qs_mom_methods.o qs_ks_qmmm_types.o rpa_gw_im_time_util.o qs_linres_epr_ownutils.o pao_methods.o pao_ml_neuralnet.o rpa_grad.o manybody_gal21.o motion_utils.o qs_p_env_types.o mixed_environment_types.o qs_operators_ao.o embed_environment.o input_cp2k_check.o qs_rho_atom_types.o wannier_states_types.o qs_mo_io.o qmmmx_types.o embed_main.o parallel_gemm_api.o xtb_parameters.o qs_tddfpt2_lri_utils.o almo_scf_methods.o stm_images.o header.o xas_restart.o qs_energy_window.o ec_methods.o xas_tdp_utils.o qs_scf.o qs_chargemol.o qs_gcp_types.o qs_dftb_parameters.o fist_efield_types.o cp2k_info.o dm_ls_scf_curvy.o pao_ml_gaussprocess.o dm_ls_chebyshev.o semi_empirical_int_gks.o minbas_methods.o qs_ks_utils.o atom_fit.o qs_fb_input.o pao_optimizer.o mixed_cdft_types.o wannier_states.o input_cp2k_subsys.o qs_tddfpt2_utils.o qs_environment_methods.o cp_ddapc_util.o qs_subsys_methods.o xas_control.o qs_linres_issc_utils.o qs_diis.o qs_scf_post_se.o qs_localization_methods.o input_restart_force_eval.o input_constants.o qs_scf_methods.o qs_fb_hash_table_types.o almo_scf_qs.o pao_linpot_rotinv.o qs_tddfpt2_smearing_methods.o qs_linres_op.o ec_efield_local.o mscfg_methods.o qmmm_types_low.o qs_dos.o task_list_methods.o qmmm_per_elpot.o mm_mapping_library.o xtb_hab_force.o qs_efield_local.o pao_ml.o input_cp2k_mm.o qs_o3c_types.o kg_tnadd_mat.o rpa_gw_kpoints_util.o hfx_energy_potential.o semi_empirical_int3_utils.o kg_correction.o csvr_system_types.o qs_core_energies.o negf_control_types.o qs_dispersion_pairpot.o pao_model.o force_fields.o gw_small_cell_full_kp.o qs_2nd_kernel_ao.o transport_env_types.o xc_pot_saop.o replica_methods.o qs_ot_minimizer.o topology_cp2k.o qs_grid_atom.o qs_resp.o bse_iterative.o atom_admm_methods.o sirius_interface.o graphcon.o soc_pseudopotential_utils.o mp2_integrals.o input_cp2k_loc.o mao_types.o qs_wf_history_types.o atom_basis.o mscfg_types.o input_cp2k_dft.o qs_neighbor_lists.o ewald_pw_types.o admm_types.o input_cp2k_opt.o hfx_ri.o qs_tddfpt2_stda_types.o semi_empirical_mpole_types.o input_cp2k_binary_restarts.o topology_generate_util.o qs_dcdr_utils.o gw_main.o constraint_3x3.o post_scf_bandstructure_methods.o eeq_data.o xc_adiabatic_utils.o qs_rho_atom_methods.o topology_cif.o sap_kind_types.o qs_tddfpt2_soc.o libgrpp_integrals.o qs_band_structure.o topology_types.o integration_grid_types.o qs_energy_utils.o almo_scf_env_methods.o optimize_basis_types.o optimize_input.o qs_gspace_mixing.o topology_multiple_unit_cell.o negf_green_cache.o input_cp2k_global.o input_cp2k_atprop.o qmmm_types.o mp2_ri_2c.o statistical_methods.o manybody_nequip.o ipi_server.o semi_empirical_parameters.o cp_ddapc_methods.o qmmm_force.o ewald_environment_types.o smeagol_matrix_utils.o atom_utils.o qs_fb_atomic_halo_types.o qs_cdft_opt_types.o qs_collocate_density.o nnp_force.o cp_dbcsr_output.o pexsi_interface.o preconditioner_apply.o qs_dftb_types.o qs_tddfpt2_stda_utils.o qs_nl_hash_table_types.o qs_kind_types.o qs_core_hamiltonian.o manybody_eam.o qmmm_se_forces.o hfx_load_balance_methods.o qs_active_space_utils.o optbas_opt_utils.o xc_adiabatic_methods.o qmmm_gaussian_types.o sockets_interface.o qs_ks_apply_restraints.o libint_2c_3c.o qs_harris_types.o cp_realspace_grid_cube.o rpa_communication.o qs_update_s_mstruct.o dm_ls_scf_types.o gw_communication.o rpa_im_time.o xc_write_output.o input_cp2k_force_eval.o input_cp2k_read.o maxwell_solver_interface.o qmmm_elpot.o qs_integrate_potential_single.o dm_ls_scf_qs.o lri_integrals.o cp_external_control.o qs_scf_output.o input_cp2k_nnp.o excited_states.o qmmm_image_charge.o pao_ml_descriptor.o linesearch.o generic_os_integrals.o hfx_helpers.o force_fields_util.o dm_ls_scf_create.o qs_scf_types.o topology.o xas_tp_scf.o iao_types.o qs_linres_current_utils.o qs_integrate_potential_product.o rt_propagation_forces.o topology_pdb.o topology_util.o preconditioner_makes.o fist_nonbond_env_types.o qs_dispersion_d4.o xtb_ehess_force.o atom_xc.o hfx_compression_methods.o gw_kp_to_real_space_and_back.o rmsd.o surface_dipole.o hfx_libint_interface.o qs_efield_berry.o qs_wf_history_methods.o rtp_admm_methods.o bse_properties.o qs_energy.o farming_methods.o atom_grb.o qs_tddfpt2_soc_types.o qs_scf_post_tb.o qs_kpp1_env_methods.o kpoint_transitional.o efield_utils.o spglib_f08.o ec_orth_solver.o pao_linpot_full.o qs_ks_methods.o input_cp2k_properties_dft.o input_cp2k_se.o grrm_utils.o mp2_eri.o qs_active_space_types.o constraint_clv.o hdf5_wrapper.o constraint_vsite.o nnp_environment.o fist_pol_scf.o hfx_types.o topology_xyz.o qs_loc_dipole.o input_cp2k_rsgrid.o mixed_energy_types.o atom_upf.o qmmm_create.o input_cp2k_thermostats.o input_cp2k_voronoi.o qs_tddfpt_types.o lri_ks_methods.o mp2_direct_method.o hfx_admm_utils.o qs_period_efield_types.o localization_tb.o qs_external_density.o atom_energy.o global_types.o ec_env_types.o torch_api.o atom_operators.o almo_scf_diis_types.o input_cp2k_qs.o pw_poisson_read_input.o qs_p_env_methods.o outer_scf_control_types.o mp2_ri_libint.o qmmm_gaussian_input.o extended_system_types.o qs_fb_filter_matrix_methods.o qs_mfp.o xas_tdp_correction.o qs_tensors_types.o qs_local_rho_types.o input_cp2k_projection_rtp.o simpar_types.o input_cp2k_transport.o eip_environment.o semi_empirical_integrals.o hfx_communication.o hfx_ri_kp.o force_env_utils.o subcell_types.o qs_neighbor_list_types.o topology_input.o optimize_basis_utils.o qs_dispersion_cnum.o fist_main.o qs_elec_field.o group_dist_types.o kpoint_types.o optbas_fenv_manipulation.o qmmm_gaussian_init.o uff_vdw_radii_table.o beta_gamma_psi.o qs_dispersion_d2.o distribution_methods.o xas_tdp_integrals.o free_energy_types.o qs_mo_types.o core_ae.o qs_scf_lanczos.o mixed_cdft_methods.o constraint.o kpoint_methods.o lri_compression.o rpa_gw_sigma_x.o qs_integrate_potential.o qs_oce_types.o rpa_im_time_force_methods.o semi_empirical_expns3_types.o mp2_eri_gpw.o qs_kinetic.o pme.o qs_dispersion_nonloc.o qs_force.o submatrix_dissection.o xas_tdp_kernel.o pao_param_gth.o mp2_ri_grad_util.o input_cp2k_qmmm.o dgemm_counter_types.o qs_mo_methods.o fp_types.o minbas_wfn_analysis.o xtb_potentials.o mdctrl_types.o rpa_gw_ic.o manybody_siepmann.o qs_force_types.o pao_types.o qs_initial_guess.o qs_loc_utils.o fist_efield_methods.o qs_gamma2kp.o mp2.o almo_scf_lbfgs_types.o gapw_1c_basis_set.o atom_sgp.o qs_cdft_methods.o csvr_system_utils.o qs_dftb_dispersion.o optimize_dmfet_potential.o ewald_methods_tb.o mulliken.o pilaenv_hack.o lri_environment_types.o qmmm_util.o qs_dftb_matrices.o atom_kind_orbitals.o cell_methods.o moments_utils.o bse_print.o manybody_gal.o xas_tdp_types.o domain_submatrix_methods.o qs_dispersion_utils.o input_cp2k_as.o et_coupling_types.o voronoi_interface.o commutator_rkinetic.o admm_utils.o qs_linres_methods.o qs_matrix_w.o input_cp2k_xas.o force_field_types.o hirshfeld_methods.o qs_tddfpt2_eigensolver.o hfx_pw_methods.o qs_tddfpt_utils.o qs_cdft_scf_utils.o negf_green_methods.o rpa_util.o fp_methods.o negf_alloc_types.o qs_environment.o embed_types.o iterate_matrix.o lri_environment_methods.o post_scf_bandstructure_utils.o qs_tddfpt2_fhxc.o pao_param.o manybody_deepmd.o se_fock_matrix_dbg.o pao_param_fock.o ewald_pw_methods.o pair_potential.o xtb_ks_matrix.o qs_density_matrices.o qs_vxc.o mao_optimizer.o xtb_hcore.o lri_environment_init.o qs_gapw_densities.o input_cp2k_mixed.o qs_epr_hyp.o input_cp2k_colvar.o input_restart_rng.o pao_param_equi.o qs_eht_guess.o mol_force.o rt_propagation_types.o cryssym.o eeq_method.o input_cp2k_distribution.o hartree_local_types.o se_fock_matrix_exchange.o negf_integr_utils.o mm_collocate_potential.o pao_param_exp.o qmmmx_create.o topology_gromos.o semi_empirical_store_int_types.o qmmm_gaussian_data.o fist_nonbond_force.o force_fields_input.o qs_nonscf.o xas_tdp_atom.o input_cp2k_exstate.o negf_matrix_utils.o cp_ddapc.o qs_ot.o qmmmx_force.o ipi_environment_types.o scf_control_types.o pair_potential_util.o qs_pdos.o ri_environment_methods.o hfx_exx.o fist_environment_types.o submatrix_types.o qs_electric_field_gradient.o negf_integr_simpson.o cp_dbcsr_cholesky.o al_system_types.o input_cp2k_atom.o qs_fxc.o rel_control_types.o library_tests.o mode_selective.o xtb_matrices.o colvar_utils.o almo_scf_optimizer.o qs_cdft_types.o qs_harmonics_atom.o kg_environment.o ec_external.o qs_local_properties.o fist_neighbor_lists.o lri_forces.o qs_rho0_types.o et_coupling.o pexsi_types.o pao_param_linpot.o semi_empirical_types.o qs_interactions.o mixed_environment_utils.o optimize_embedding_potential.o qs_linres_nmr_epr_common_utils.o cp_eri_mme_interface.o qs_gcp_utils.o qs_tddfpt2_types.o wannier90.o qs_fb_atomic_matrix_methods.o fist_environment.o qs_wannier90.o pao_io.o topology_constraint_util.o kg_environment_types.o qs_basis_gradient.o qmmm_links_methods.o mixed_environment.o qs_rho0_methods.o qs_fb_env_methods.o metadynamics.o eip_environment_types.o topology_connectivity_util.o metadynamics_types.o external_potential_methods.o xas_tdp_methods.o qs_linres_atom_current.o semi_empirical_int_ana.o ewald_spline_util.o cp_dbcsr_operations.o cp_symmetry.o qs_spin_orbit.o qmmm_se_energy.o input_cp2k_scf.o input_cp2k_poisson.o qs_integral_utils.o scine_utils.o qs_loc_molecules.o metadynamics_utils.o local_gemm_api.o rpa_exchange.o qmmm_pw_grid.o exclusion_types.o molecular_states.o topology_coordinate_util.o qs_outer_scf.o qs_vxc_atom.o response_solver.o qs_environment_types.o dft_plus_u.o xtb_ehess.o admm_dm_types.o qs_dftb_utils.o qs_energy_types.o xas_env_types.o qs_tddfpt2_fprint.o qs_rho0_ggrid.o qs_active_space_methods.o pexsi_methods.o xtb_coulomb.o domain_submatrix_types.o input_cp2k_harris.o lri_optimize_ri_basis.o smeagol_control_types.o smeagol_emtoptions.o input_cp2k_motion_print.o qs_scf_loop_utils.o mp2_setup.o pwdft_environment_types.o qs_sccs.o soc_pseudopotential_methods.o dkh_main.o mixed_cdft_utils.o ewalds_multipole.o input_cp2k_tb.o semi_empirical_mpole_methods.o qs_mom_types.o molecular_dipoles.o manybody_tersoff.o fist_neighbor_list_types.o pw_env_methods.o gw_large_cell_gamma.o semi_empirical_int_debug.o qs_cdft_utils.o constraint_util.o splines_types.o qs_tddfpt2_soc_utils.o energy_corrections.o cp_control_utils.o se_core_core.o semi_empirical_int_num.o se_core_matrix.o debug_os_integrals.o qs_linres_nmr_utils.o matrix_exp.o fist_neighbor_list_control.o s_square_methods.o qs_dcdr_ao.o negf_methods.o input_cp2k_pwdft.o xtb_types.o input_cp2k_constraints.o pair_potential_types.o auto_basis.o ipi_driver.o qs_fermi_contact.o bsse.o efield_tb_methods.o qs_linres_polar_utils.o mp2_gpw.o qs_tddfpt2_densities.o ex_property_calculation.o input_cp2k_external.o cp_control_types.o kpoint_io.o preconditioner.o pair_potential_coulomb.o qs_scf_initialization.o optimize_basis.o qs_linres_epr_utils.o mp2_gpw_method.o manybody_allegro.o splines_methods.o gw_integrals.o core_ppl.o input_cp2k_resp.o negf_integr_cc.o input_optimize_input.o qs_linres_current.o ec_environment.o qs_ks_reference.o fist_energy_types.o qs_dftb_coulomb.o qs_linres_nmr_shift.o input_cp2k_free_energy.o input_cp2k_ls.o pao_main.o exstates_types.o kg_vertex_coloring_methods.o input_cp2k_hfx.o eeq_input.o qmmmx_util.o semi_empirical_par_utils.o pao_param_methods.o kpoint_coulomb_2c.o qs_fb_trial_fns_types.o nnp_acsf.o hfx_screening_methods.o farming_types.o qs_basis_rotation_methods.o xray_diffraction.o qmmm_gpw_energy.o commutator_rpnl.o se_fock_matrix_coulomb.o atom_output.o qs_block_davidson_types.o dm_ls_scf_methods.o colvar_methods.o qs_ot_eigensolver.o mao_wfn_analysis.o qs_scf_post_scf.o ipi_environment.o qs_tddfpt2_properties.o kpsym.o input_cp2k_field.o qs_linres_module.o nnp_model.o qs_nonscf_utils.o qs_condnum.o nnp_environment_types.o qs_diis_types.o qs_dispersion_types.o qs_linres_epr_nablavks.o qs_scf_post_gpw.o hartree_local_methods.o libint_wrapper.o hirshfeld_types.o cp_dbcsr_diag.o atoms_input.o qmmm_gpw_forces.o qs_energy_init.o admm_methods.o negf_vectors.o input_cp2k_eip.o topology_psf.o mp2_optimize_ri_basis.o atom_types.o qs_mo_occupation.o force_env_methods.o qs_ot_types.o core_ppnl.o rpa_gw.o input_cp2k_embed.o qs_elf_methods.o qs_vcd_utils.o basis_set_output.o qs_charges_types.o atom_pseudo.o cp_subsys_methods.o qmmm_init.o qs_dftb3_methods.o qs_external_potential.o qs_o3c_methods.o se_fock_matrix.o negf_env_types.o molecular_moments.o qs_ot_scf.o qmmm_tb_methods.o qs_scf_csr_write.o qs_vcd.o constraint_fxd.o rpa_sigma_functional.o atomic_charges.o atom.o qs_kpp1_env_types.o qs_tddfpt2_assign.o deepmd_wrapper.o qs_scf_wfn_mix.o qs_fb_env_types.o cp2k_debug.o qs_rho_types.o manybody_potential.o mixed_main.o trexio_utils.o molden_utils.o input_cp2k_almo.o negf_atom_map.o eip_silicon.o ewalds.o topology_amber.o qs_tddfpt2_operators.o bse_main.o mp2_laplace.o atom_set_basis.o smeagol_interface.o qs_tddfpt2_subgroups.o qs_oce_methods.o cp_ddapc_types.o ct_types.o tip_scan_methods.o pwdft_environment.o qs_linres_kernel.o semi_empirical_int_arrays.o rpa_main.o input_optimize_basis.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 /build/reproducible-path/cp2k-2025.1/src/tmc/tmc_analysis.F:1131:89: 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 'input_cp2k_restarts.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="\"Sun Apr 13 06:50:34 +14 2025\"" -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_io.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 -/build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/gopt_f_methods.F gopt_f_methods.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'md_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/md_util.F md_util.F90 -/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation.o' 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/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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:10:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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="\"Sun Apr 13 06:50:40 +14 2025\"" -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 '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="\"Fri May 15 10:10:44 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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/Makefile:560: update target 'helium_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="\"Sun Apr 13 06:50:42 +14 2025\"" -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 +/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 '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="\"Fri May 15 10:10:45 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:50:43 +14 2025\"" -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: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:513: update target 'gopt_f_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/gopt_f_methods.F 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="\"Sun Apr 13 06:50:45 +14 2025\"" -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/Makefile:513: update target 'md_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/md_util.F 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="\"Sun Apr 13 06:50:45 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'rt_propagation.o' 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/rt_propagation.F 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="\"Sun Apr 13 06:50:45 +14 2025\"" -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="\"Sun Apr 13 06:50:45 +14 2025\"" -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 +/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/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="\"Sun Apr 13 06:50:46 +14 2025\"" -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/neb_io.F:435:55: 435 | logger%iter_info%project_name = replica_proj_name @@ -64246,6 +64284,8 @@ Warning: CHARACTER expression will be truncated in assignment (80/1024) at (1) [-Wcharacter-truncation] /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 'tmc_master.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/motion/vibrational_analysis.F:128:80: 128 | REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: polar_deriv, tmp_dip @@ -64282,12 +64322,13 @@ 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/Makefile:560: update target 'tmc_master.mod' due to: target does not exist -true /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/obj/Linux-x86_64-gfortran/psmp/all.dep:146: 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="\"Fri May 15 10:10:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 'tmc_worker.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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:51:00 +14 2025\"" -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/src/motion/gopt_f_methods.F:1118:14: 1118 | CPASSERT((SIZE(x) == idg + 6)) @@ -64298,71 +64339,58 @@ 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 -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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:10:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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 'cg_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/motion/cg_optimizer.F cg_optimizer.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'bfgs_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/motion/bfgs_optimizer.F bfgs_optimizer.F90 +/build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'cg_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/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="\"Fri May 15 10:10:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:48 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:51:01 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'rt_propagation.mod' due to: target does not exist true +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:51:02 +14 2025\"" -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="\"Sun Apr 13 06:51:02 +14 2025\"" -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 'vibrational_analysis.mod' due to: target does not exist true +/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_tree_references.o tmc_stati.o tmc_tree_build.o tmc_tree_types.o tmc_move_types.o tmc_moves.o tmc_analysis_types.o tmc_tree_search.o tmc_file_io.o tmc_types.o tmc_calculations.o tmc_move_handle.o tmc_worker.o tmc_utils.o tmc_cancelation.o tmc_master.o tmc_analysis.o tmc_messages.o tmc_tree_acceptance.o tmc_setup.o tmc_dot_tree.o input_cp2k_tmc.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 'cg_optimizer.mod' due to: target does not exist +true /build/reproducible-path/cp2k-2025.1/src/motion/cp_lbfgs_optimizer_gopt.F:341:29: 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 '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="\"Fri May 15 10:10:51 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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_worker.o tmc_move_types.o tmc_tree_search.o tmc_setup.o tmc_tree_types.o tmc_analysis.o tmc_tree_build.o tmc_master.o tmc_utils.o input_cp2k_tmc.o tmc_calculations.o tmc_dot_tree.o tmc_tree_references.o tmc_analysis_types.o tmc_types.o tmc_cancelation.o tmc_messages.o tmc_stati.o tmc_file_io.o tmc_moves.o tmc_move_handle.o tmc_tree_acceptance.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 'bfgs_optimizer.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="\"Sun Apr 13 06:51:09 +14 2025\"" -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 '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="\"Sun Apr 13 06:51:14 +14 2025\"" -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 'shell_opt.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 -/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_lbfgs_optimizer_gopt.mod' due to: target does not exist +/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 '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="\"Sun Apr 13 06:51:16 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:51:16 +14 2025\"" -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 +/build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'cp_lbfgs_optimizer_gopt.mod' due to: target does not exist true -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:10:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:10:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /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 -/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="\"Fri May 15 10:10:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Fri May 15 10:10:53 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Fri May 15 10:10:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:10:55 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:51:23 +14 2025\"" -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/src/motion/integrator.F:1584:61: 1584 | element_kind_ref0 = particle_set(i)%atomic_kind%name @@ -64383,14 +64411,24 @@ 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 +/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="\"Sun Apr 13 06:51:29 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:51:29 +14 2025\"" -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 +/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/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="\"Sun Apr 13 06:51:35 +14 2025\"" -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 '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="\"Fri May 15 10:10:57 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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/src/motion/integrator.F:529:27: @@ -64402,23 +64440,21 @@ 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 '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="\"Fri May 15 10:10:59 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 -/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: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="\"Sun Apr 13 06:51:35 +14 2025\"" -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/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="\"Fri May 15 10:11:00 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:51:38 +14 2025\"" -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 'dimer_methods.mod' due to: target does not exist +true /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="\"Fri May 15 10:11:01 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:51:41 +14 2025\"" -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 '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 @@ -64427,15 +64463,15 @@ /build/reproducible-path/cp2k-2025.1/tools/build_utils/fypp -n /build/reproducible-path/cp2k-2025.1/src/motion/gopt_f77_methods.F gopt_f77_methods.F90 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'mc_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_moves.F 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="\"Sun Apr 13 06:51:51 +14 2025\"" -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="\"Sun Apr 13 06:51:51 +14 2025\"" -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 /build/reproducible-path/cp2k-2025.1/Makefile:513: update target 'glbopt_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/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="\"Fri May 15 10:11:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:11:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:11:04 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:11:05 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:11:05 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:51:51 +14 2025\"" -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="\"Sun Apr 13 06:51:51 +14 2025\"" -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="\"Sun Apr 13 06:51:51 +14 2025\"" -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/src/motion/helium_methods.F:439:16: 439 | IF (expl_pot) THEN @@ -64450,17 +64486,17 @@ 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="\"Fri May 15 10:11:06 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:51:57 +14 2025\"" -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/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="\"Fri May 15 10:11:06 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:51:58 +14 2025\"" -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/Makefile:560: update target 'swarm_worker.mod' due to: target does not exist 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="\"Fri May 15 10:11:08 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:52:00 +14 2025\"" -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/src/motion/neb_utils.F:482:46: 482 | forces%wrk(:, 1) = tmp_a ! Image A @@ -64471,23 +64507,23 @@ 380 | REAL(KIND=dp), ALLOCATABLE, DIMENSION(:) :: tangent, tmp_a, tmp_b | ^ note: 'tmp_a.dim[0].ubound' was declared here -/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="\"Fri May 15 10:11:09 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'swarm.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/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 swarm_master.o swarm_input.o glbopt_worker.o glbopt_master.o swarm_mpi.o glbopt_mincrawl.o glbopt_minhop.o swarm_worker.o glbopt_input.o swarm_message.o glbopt_history.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a swarm_input.o glbopt_input.o swarm_worker.o swarm_master.o swarm_mpi.o swarm_message.o glbopt_master.o glbopt_history.o glbopt_minhop.o glbopt_mincrawl.o glbopt_worker.o swarm.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kswarm.a +/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="\"Sun Apr 13 06:52:05 +14 2025\"" -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="\"Fri May 15 10:11:09 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:52:07 +14 2025\"" -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:793:23: @@ -64495,21 +64531,21 @@ 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="\"Fri May 15 10:11:12 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 /build/reproducible-path/cp2k-2025.1/src/motion/mc/mc_ensembles.F:142:54: 142 | start_atom_swap, start_atom_target, start_mol | ^ Warning: 'start_mol' may be used uninitialized [-Wmaybe-uninitialized] +/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="\"Sun Apr 13 06:52:13 +14 2025\"" -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/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="\"Fri May 15 10:11:14 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:52:17 +14 2025\"" -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/src/motion/pint_methods.F:1932:98: 1932 | REAL(kind=dp) :: dt_temp, dti, dti2, dti22, e_h, factor, & @@ -64532,44 +64568,44 @@ /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 mc_coordinates.o mc_moves.o mc_control.o mc_ge_moves.o mc_misc.o mc_run.o mc_types.o mc_move_control.o mc_environment_types.o mc_ensembles.o tamc_run.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a mc_ensembles.o mc_move_control.o mc_control.o mc_coordinates.o tamc_run.o mc_misc.o mc_run.o mc_types.o mc_moves.o mc_ge_moves.o mc_environment_types.o ar: creating /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kmc.a /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 pint_transformations.o shell_opt.o pint_pile.o md_conserved_quantities.o md_environment_types.o neb_md_utils.o geo_opt.o helium_interactions.o thermal_region_types.o neb_opt_utils.o gopt_param_types.o pint_staging.o md_run.o cg_utils.o input_cp2k_md.o vibrational_analysis.o md_energies.o helium_io.o md_util.o input_cp2k_vib.o cp_lbfgs.o dimer_utils.o pint_io.o pint_methods.o thermal_region_utils.o mdctrl_methods.o neb_types.o cell_opt_types.o cell_opt_utils.o pint_qtb.o pint_piglet.o simpar_methods.o input_cp2k_restarts.o helium_sampling.o gopt_f_types.o pint_public.o integrator.o gopt_f77_methods.o pint_normalmode.o cg_optimizer.o cell_opt.o velocity_verlet_control.o cp_lbfgs_geo.o helium_nnp.o pint_gle.o rt_propagation.o free_energy_methods.o space_groups.o dimer_types.o reftraj_util.o neb_utils.o gopt_f_methods.o dimer_methods.o md_ener_types.o helium_methods.o glbopt_callback.o reftraj_types.o averages_types.o helium_worm.o helium_types.o helium_common.o integrator_utils.o wiener_process.o md_vel_utils.o cp_lbfgs_optimizer_gopt.o neb_io.o space_groups_types.o pint_types.o neb_methods.o bfgs_optimizer.o -ar: creating /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 integrator_utils.o space_groups.o neb_methods.o helium_io.o reftraj_types.o gopt_f77_methods.o helium_interactions.o md_conserved_quantities.o helium_methods.o input_cp2k_md.o md_vel_utils.o wiener_process.o md_energies.o neb_io.o bfgs_optimizer.o md_util.o averages_types.o dimer_types.o md_ener_types.o neb_utils.o pint_methods.o cg_optimizer.o glbopt_callback.o thermal_region_types.o helium_worm.o helium_sampling.o md_environment_types.o helium_common.o gopt_f_methods.o cg_utils.o helium_nnp.o input_cp2k_vib.o dimer_methods.o md_run.o integrator.o shell_opt.o pint_normalmode.o pint_gle.o cell_opt_types.o cp_lbfgs_optimizer_gopt.o pint_qtb.o gopt_f_types.o pint_io.o space_groups_types.o pint_piglet.o velocity_verlet_control.o geo_opt.o rt_propagation.o thermal_region_utils.o neb_opt_utils.o cell_opt.o cp_lbfgs.o cell_opt_utils.o pint_transformations.o cp_lbfgs_geo.o neb_md_utils.o pint_staging.o helium_types.o neb_types.o mdctrl_methods.o pint_public.o free_energy_methods.o pint_types.o dimer_utils.o vibrational_analysis.o reftraj_util.o pint_pile.o input_cp2k_restarts.o simpar_methods.o gopt_param_types.o +ar: /build/reproducible-path/cp2k-2025.1/Makefile:560: update target 'pint_methods.mod' due to: target does not exist +true +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="\"Fri May 15 10:11:18 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Fri May 15 10:11:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Fri May 15 10:11:20 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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 +/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/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="\"Sun Apr 13 06:52:30 +14 2025\"" -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 +mpif90 -c -g -Wall -O2 -fopenmp -funroll-loops -ftree-vectorize -ffree-form -ffree-line-length-none -fallow-argument-mismatch -D__GFORTRAN -D__FFTSG -D__FFTW3 -D__LIBINT -D__LIBXC -D__SPGLIB -D__parallel -D__BLACS -D__SCALAPACK -D__ELPA=202111 -I/usr/include/elpa/modules/ -I/usr/include/elpa/elpa/ -I/usr/include -D__COMPILE_ARCH="\"Linux-x86_64-gfortran\"" -D__COMPILE_DATE="\"Sun Apr 13 06:52:30 +14 2025\"" -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:166: 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="\"Sun Apr 13 06:52:30 +14 2025\"" -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="\"Fri May 15 10:11:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Fri May 15 10:11:24 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:52:44 +14 2025\"" -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="\"Sun Apr 13 06:52:44 +14 2025\"" -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="\"Fri May 15 10:11:26 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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="\"Sun Apr 13 06:52:48 +14 2025\"" -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 cp2k_shell.o libcp2k.o cp2k_runs.o input_cp2k_motion.o input_cp2k.o +ar -r /build/reproducible-path/cp2k-2025.1/lib/Linux-x86_64-gfortran/psmp/libcp2kstart.a input_cp2k_motion.o cp2k_shell.o libcp2k.o cp2k_runs.o input_cp2k.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:178: 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="\"Fri May 15 10:11:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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: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="\"Fri May 15 10:11:27 -12 2026\"" -D__COMPILE_HOST="\"ionos15-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:154: 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="\"Sun Apr 13 06:52:52 +14 2025\"" -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/obj/Linux-x86_64-gfortran/psmp/all.dep:190: 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="\"Sun Apr 13 06:52:52 +14 2025\"" -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/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 @@ -64579,7 +64615,7 @@ # 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 42" + ./generate_input_reference.py ./cp2k_input.xml && make html SPHINXOPTS="-W -n --keep-going --jobs 40" 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 @@ -67242,7 +67278,7 @@ 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 42 +sphinx-build -M html "." "_build" -W -n --keep-going --jobs 40 Running Sphinx v8.1.3 loading translations [en]... done myst v4.0.1: MdParserConfig(commonmark_only=False, gfm_only=False, enable_extensions={'dollarmath', 'attrs_inline', 'smartquotes', '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) @@ -67250,116 +67286,112 @@ 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 -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 +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 looking for now-outdated files... none found pickling environment... done @@ -67374,124 +67406,120 @@ 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/documentation_options.js 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/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/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 +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 generating indices... genindex done Creating redirect 'getting-started/CMake.html' to 'build-from-source.html'. @@ -67577,12 +67605,12 @@ -restrictdir SWARM/regtest-glbopt-1) ./do_regtest: line 619: ps: command not found *************************** testing started ****************************** - started on Fri May 15 10:21:11 -12 2026 + started on Sun Apr 13 07:26:31 +14 2025 configuration: Linux-x86_64-gfortran-psmp - regtesting location summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/summary.txt - regtesting location error_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/error_summary - regtesting location memory_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/memory_summary - regtesting location output dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11 + regtesting location summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/summary.txt + regtesting location error_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/error_summary + regtesting location memory_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/memory_summary + regtesting location output dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31 regtesting location last dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//LAST-Linux-x86_64-gfortran-psmp ---------------------------- Settings ------------------------------------ maxtasks = 2 @@ -67666,15 +67694,15 @@ DATA max data size unlimited unlimited bytes FSIZE max file size unlimited unlimited bytes LOCKS max number of file locks held unlimited unlimited locks -MEMLOCK max locked-in-memory address space 10538450944 10538450944 bytes +MEMLOCK max locked-in-memory address space 10537996288 10537996288 bytes MSGQUEUE max bytes in POSIX mqueues 819200 819200 bytes NICE max nice prio allowed to raise 0 0 NOFILE max number of open files 1024 1048576 files -NPROC max number of processes 321446 321446 processes +NPROC max number of processes 321444 321444 processes RSS max resident set size unlimited unlimited bytes RTPRIO max real-time priority 0 0 RTTIME timeout for real-time tasks unlimited unlimited microsecs -SIGPENDING max number of pending signals 321446 321446 signals +SIGPENDING max number of pending signals 321444 321444 signals STACK max stack size 8388608 unlimited bytes --------------------------- SELinux -------------------------------------- No SELinux installation found @@ -67684,47 +67712,47 @@ ------------------------ 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 (0x00007f4d1d34f000) - liblapack.so.3 => /lib/x86_64-linux-gnu/liblapack.so.3 (0x00007f4d18e00000) - libblas.so.3 => /lib/x86_64-linux-gnu/libblas.so.3 (0x00007f4d1d2c8000) - libfftw3.so.3 => /lib/x86_64-linux-gnu/libfftw3.so.3 (0x00007f4d18a00000) - libfftw3_threads.so.3 => /lib/x86_64-linux-gnu/libfftw3_threads.so.3 (0x00007f4d1d2bf000) - libint2.so.2 => /lib/x86_64-linux-gnu/libint2.so.2 (0x00007f4d16800000) - libxc.so.9 => /lib/x86_64-linux-gnu/libxc.so.9 (0x00007f4d15c00000) - libxcf03.so.9 => /lib/x86_64-linux-gnu/libxcf03.so.9 (0x00007f4d1d2b4000) - libsymspg.so.2 => /lib/x86_64-linux-gnu/libsymspg.so.2 (0x00007f4d18c40000) - libmpi_mpifh.so.40 => /lib/x86_64-linux-gnu/libmpi_mpifh.so.40 (0x00007f4d19593000) - libscalapack-openmpi.so.2.2 => /lib/x86_64-linux-gnu/libscalapack-openmpi.so.2.2 (0x00007f4d15600000) - libelpa.so.19 => /lib/x86_64-linux-gnu/libelpa.so.19 (0x00007f4d154a2000) - libgfortran.so.5 => /lib/x86_64-linux-gnu/libgfortran.so.5 (0x00007f4d15000000) - libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007f4d153b2000) - libmvec.so.1 => /lib/x86_64-linux-gnu/libmvec.so.1 (0x00007f4d14f07000) - libgomp.so.1 => /lib/x86_64-linux-gnu/libgomp.so.1 (0x00007f4d167ab000) - libgcc_s.so.1 => /lib/x86_64-linux-gnu/libgcc_s.so.1 (0x00007f4d1d285000) - libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007f4d14d11000) - libstdc++.so.6 => /lib/x86_64-linux-gnu/libstdc++.so.6 (0x00007f4d14a00000) - /lib64/ld-linux-x86-64.so.2 (0x00007f4d1d351000) - libmpi.so.40 => /lib/x86_64-linux-gnu/libmpi.so.40 (0x00007f4d14600000) - libopen-pal.so.80 => /lib/x86_64-linux-gnu/libopen-pal.so.80 (0x00007f4d144c3000) - libpsm2.so.2 => /lib/x86_64-linux-gnu/libpsm2.so.2 (0x00007f4d15349000) - libfabric.so.1 => /lib/x86_64-linux-gnu/libfabric.so.1 (0x00007f4d142fd000) - libucp.so.0 => /lib/x86_64-linux-gnu/libucp.so.0 (0x00007f4d14164000) - libucs.so.0 => /lib/x86_64-linux-gnu/libucs.so.0 (0x00007f4d14ca2000) - libevent_core-2.1.so.7 => /lib/x86_64-linux-gnu/libevent_core-2.1.so.7 (0x00007f4d1955d000) - libevent_pthreads-2.1.so.7 => /lib/x86_64-linux-gnu/libevent_pthreads-2.1.so.7 (0x00007f4d19558000) - libhwloc.so.15 => /lib/x86_64-linux-gnu/libhwloc.so.15 (0x00007f4d14100000) - libpmix.so.2 => /lib/x86_64-linux-gnu/libpmix.so.2 (0x00007f4d13e00000) - libucm.so.0 => /lib/x86_64-linux-gnu/libucm.so.0 (0x00007f4d189e1000) - libuct.so.0 => /lib/x86_64-linux-gnu/libuct.so.0 (0x00007f4d140b5000) - libnl-3.so.200 => /lib/x86_64-linux-gnu/libnl-3.so.200 (0x00007f4d16788000) - libnuma.so.1 => /lib/x86_64-linux-gnu/libnuma.so.1 (0x00007f4d19547000) - librdmacm.so.1 => /lib/x86_64-linux-gnu/librdmacm.so.1 (0x00007f4d15be1000) - libefa.so.1 => /lib/x86_64-linux-gnu/libefa.so.1 (0x00007f4d18c32000) - libibverbs.so.1 => /lib/x86_64-linux-gnu/libibverbs.so.1 (0x00007f4d15328000) - libudev.so.1 => /lib/x86_64-linux-gnu/libudev.so.1 (0x00007f4d14070000) - libmunge.so.2 => /lib/x86_64-linux-gnu/libmunge.so.2 (0x00007f4d189d5000) - libnl-route-3.so.200 => /lib/x86_64-linux-gnu/libnl-route-3.so.200 (0x00007f4d13d6d000) - libcap.so.2 => /lib/x86_64-linux-gnu/libcap.so.2 (0x00007f4d1531c000) + linux-vdso.so.1 (0x00007ffd825b1000) + liblapack.so.3 => /lib/x86_64-linux-gnu/liblapack.so.3 (0x00007f9d20e00000) + libblas.so.3 => /lib/x86_64-linux-gnu/libblas.so.3 (0x00007f9d253b6000) + libfftw3.so.3 => /lib/x86_64-linux-gnu/libfftw3.so.3 (0x00007f9d20a00000) + libfftw3_threads.so.3 => /lib/x86_64-linux-gnu/libfftw3_threads.so.3 (0x00007f9d253ad000) + libint2.so.2 => /lib/x86_64-linux-gnu/libint2.so.2 (0x00007f9d1e800000) + libxc.so.9 => /lib/x86_64-linux-gnu/libxc.so.9 (0x00007f9d1dc00000) + libxcf03.so.9 => /lib/x86_64-linux-gnu/libxcf03.so.9 (0x00007f9d253a2000) + libsymspg.so.2 => /lib/x86_64-linux-gnu/libsymspg.so.2 (0x00007f9d20c40000) + libmpi_mpifh.so.40 => /lib/x86_64-linux-gnu/libmpi_mpifh.so.40 (0x00007f9d25335000) + libscalapack-openmpi.so.2.2 => /lib/x86_64-linux-gnu/libscalapack-openmpi.so.2.2 (0x00007f9d1d600000) + libelpa.so.19 => /lib/x86_64-linux-gnu/libelpa.so.19 (0x00007f9d1d4a2000) + libgfortran.so.5 => /lib/x86_64-linux-gnu/libgfortran.so.5 (0x00007f9d1d000000) + libm.so.6 => /lib/x86_64-linux-gnu/libm.so.6 (0x00007f9d1d3b2000) + libmvec.so.1 => /lib/x86_64-linux-gnu/libmvec.so.1 (0x00007f9d1cf07000) + libgomp.so.1 => /lib/x86_64-linux-gnu/libgomp.so.1 (0x00007f9d252de000) + libgcc_s.so.1 => /lib/x86_64-linux-gnu/libgcc_s.so.1 (0x00007f9d252b1000) + libc.so.6 => /lib/x86_64-linux-gnu/libc.so.6 (0x00007f9d1cd11000) + libstdc++.so.6 => /lib/x86_64-linux-gnu/libstdc++.so.6 (0x00007f9d1ca00000) + /lib64/ld-linux-x86-64.so.2 (0x00007f9d25439000) + libmpi.so.40 => /lib/x86_64-linux-gnu/libmpi.so.40 (0x00007f9d1c600000) + libopen-pal.so.80 => /lib/x86_64-linux-gnu/libopen-pal.so.80 (0x00007f9d1c4c3000) + libpsm2.so.2 => /lib/x86_64-linux-gnu/libpsm2.so.2 (0x00007f9d21597000) + libfabric.so.1 => /lib/x86_64-linux-gnu/libfabric.so.1 (0x00007f9d1c2fd000) + libucp.so.0 => /lib/x86_64-linux-gnu/libucp.so.0 (0x00007f9d1c164000) + libucs.so.0 => /lib/x86_64-linux-gnu/libucs.so.0 (0x00007f9d1e791000) + libevent_core-2.1.so.7 => /lib/x86_64-linux-gnu/libevent_core-2.1.so.7 (0x00007f9d21561000) + libevent_pthreads-2.1.so.7 => /lib/x86_64-linux-gnu/libevent_pthreads-2.1.so.7 (0x00007f9d252a8000) + libhwloc.so.15 => /lib/x86_64-linux-gnu/libhwloc.so.15 (0x00007f9d1d34e000) + libpmix.so.2 => /lib/x86_64-linux-gnu/libpmix.so.2 (0x00007f9d1be00000) + libucm.so.0 => /lib/x86_64-linux-gnu/libucm.so.0 (0x00007f9d25287000) + libuct.so.0 => /lib/x86_64-linux-gnu/libuct.so.0 (0x00007f9d1ccc6000) + libnl-3.so.200 => /lib/x86_64-linux-gnu/libnl-3.so.200 (0x00007f9d209dd000) + libnuma.so.1 => /lib/x86_64-linux-gnu/libnuma.so.1 (0x00007f9d21552000) + librdmacm.so.1 => /lib/x86_64-linux-gnu/librdmacm.so.1 (0x00007f9d1dbe1000) + libefa.so.1 => /lib/x86_64-linux-gnu/libefa.so.1 (0x00007f9d21544000) + libibverbs.so.1 => /lib/x86_64-linux-gnu/libibverbs.so.1 (0x00007f9d1d32d000) + libudev.so.1 => /lib/x86_64-linux-gnu/libudev.so.1 (0x00007f9d1cc81000) + libmunge.so.2 => /lib/x86_64-linux-gnu/libmunge.so.2 (0x00007f9d20c34000) + libnl-route-3.so.200 => /lib/x86_64-linux-gnu/libnl-route-3.so.200 (0x00007f9d1c0d1000) + libcap.so.2 => /lib/x86_64-linux-gnu/libcap.so.2 (0x00007f9d20c28000) -------------------------------------------------------------------------- Copying tests into working directory ... done! CP2K supports: cp2kflags: omp libint fftw3 libxc elpa parallel scalapack spglib @@ -67764,557 +67792,557 @@ 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-2026-05-15_10-21-11/tests/QS/regtest-tddfpt-force-2 (1 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-tddfpt-force-2 - h2o_f11.inp -17.08499356132426 OK ( 8.56 sec) - h2o_f12.inp -17.23314438613114 OK ( 6.99 sec) - h2o_f13.inp -17.21133582293665 OK ( 9.47 sec) - h2o_f14.inp -17.07269324349496 OK ( 12.43 sec) - h2o_f15.inp -17.18915026270192 OK ( 3.63 sec) - h2o_f16.inp -17.18920549417830 OK ( 5.55 sec) - h2o_f17.inp -17.20475909010178 OK ( 5.43 sec) - h2o_f18.inp -16.70951393575154 OK ( 7.38 sec) - h2o_f19.inp -17.21016952558492 OK ( 8.84 sec) - h2o_f20.inp -17.18911876899796 OK ( 4.47 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-tddfpt-force-2 (1 of 47) done in 79.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/LIBTEST (2 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/LIBTEST - test_01.inp - OK ( 2.21 sec) - test_02.inp - OK ( 0.67 sec) - test_pw.inp - OK ( 0.13 sec) - test_pw_02.inp - OK ( 0.00 sec) - test_pw_03.inp - OK ( 0.00 sec) - test_pw_04.inp - OK ( 9.00 sec) - test_pw_05.inp - OK ( 0.01 sec) - test_cp_fm_gemm_01.inp - OK ( 1.02 sec) - test_cp_fm_gemm_02.inp - OK ( 1.19 sec) - eig.inp - OK ( 0.01 sec) - dbcsr_mm_blas.inp - OK ( 0.03 sec) - dbcsr_multistack.inp - OK ( 0.08 sec) - dbcsr_types.inp - OK ( 0.07 sec) - dbcsr_blocks_01.inp 20978908949.261906 OK ( 0.57 sec) - dbcsr_blocks_02.inp 21229174127.238159 OK ( 0.56 sec) - dbcsr_blocks_03.inp 21561533688.640675 OK ( 0.56 sec) - dbcsr_blocks_04.inp 21304439095.777740 OK ( 0.52 sec) +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-tddfpt-force-2 (1 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-tddfpt-force-2 + h2o_f11.inp -17.08499356134925 OK ( 242.47 sec) + h2o_f12.inp -17.23314438612805 OK ( 8.98 sec) + h2o_f13.inp -17.21133582300335 OK ( 14.51 sec) + h2o_f14.inp -17.07269324355600 OK ( 17.02 sec) + h2o_f15.inp -17.18915026270192 OK ( 7.06 sec) + h2o_f16.inp -17.18920549416449 OK ( 8.82 sec) + h2o_f17.inp -17.20475909009154 OK ( 7.31 sec) + h2o_f18.inp -16.70951393575137 OK ( 6.28 sec) + h2o_f19.inp -17.21016952558448 OK ( 34.05 sec) + h2o_f20.inp -17.18911876899796 OK ( 38.68 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-tddfpt-force-2 (1 of 47) done in 397.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/LIBTEST (2 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/LIBTEST + test_01.inp - OK ( 14.38 sec) + test_02.inp - OK ( 2.67 sec) + test_pw.inp - OK ( 6.77 sec) + test_pw_02.inp - OK ( 0.01 sec) + test_pw_03.inp - OK ( 0.01 sec) + test_pw_04.inp - OK ( 14.80 sec) + test_pw_05.inp - OK ( 0.03 sec) + test_cp_fm_gemm_01.inp - OK ( 1.52 sec) + test_cp_fm_gemm_02.inp - OK ( 1.31 sec) + eig.inp - OK ( 0.03 sec) + dbcsr_mm_blas.inp - OK ( 0.08 sec) + dbcsr_multistack.inp - OK ( 0.12 sec) + dbcsr_types.inp - OK ( 0.17 sec) + dbcsr_blocks_01.inp 20978908949.261906 OK ( 0.76 sec) + dbcsr_blocks_02.inp 21229174127.238159 OK ( 0.58 sec) + dbcsr_blocks_03.inp 21561533688.640675 OK ( 0.58 sec) + dbcsr_blocks_04.inp 21304439095.777740 OK ( 0.56 sec) dbcsr_blocks_05.inp 21455488291.450737 OK ( 0.56 sec) dbcsr_blocks_06.inp 165599.60719889530 OK ( 0.01 sec) - dbcsr_types_01.inp 215164151.09111804 OK ( 0.08 sec) + dbcsr_types_01.inp 215164151.09111804 OK ( 0.09 sec) dbcsr_types_02.inp 215164151.09111804 OK ( 0.08 sec) - dbcsr_types_03.inp 215164151.09111804 OK ( 0.08 sec) - dbcsr_types_04.inp 215164151.09111804 OK ( 0.21 sec) + dbcsr_types_03.inp 215164151.09111804 OK ( 0.09 sec) + dbcsr_types_04.inp 215164151.09111804 OK ( 0.08 sec) dbcsr_types_05.inp 215164151.09111804 OK ( 0.07 sec) - dbcsr_io_1.inp - OK ( 0.26 sec) - dbcsr_order_N.inp 1910924.8949438259 OK ( 1.75 sec) - dbm_blocks_01.inp 20978908949.261597 OK ( 0.48 sec) - dbm_blocks_02.inp 21229174127.238670 OK ( 0.45 sec) - dbm_blocks_03.inp 21561533688.640694 OK ( 0.45 sec) - dbm_blocks_04.inp 21304439095.777515 OK ( 0.44 sec) - dbm_blocks_05.inp 21455488291.450775 OK ( 0.59 sec) - dbm_blocks_06.inp 165599.60719889469 OK ( 0.01 sec) - dbm_order_N.inp 1910924.8949438124 OK ( 0.77 sec) - test_eri_mme_accuracy.inp - OK ( 0.83 sec) - test_eri_mme_accuracy_longrange.inp - OK ( 0.85 sec) + dbcsr_io_1.inp - OK ( 0.04 sec) + dbcsr_order_N.inp 1910924.8949438259 OK ( 2.19 sec) + dbm_blocks_01.inp 20978908949.261597 OK ( 0.71 sec) + dbm_blocks_02.inp 21229174127.238670 OK ( 0.51 sec) + dbm_blocks_03.inp 21561533688.640694 OK ( 0.48 sec) + dbm_blocks_04.inp 21304439095.777515 OK ( 0.46 sec) + dbm_blocks_05.inp 21455488291.450775 OK ( 0.45 sec) + dbm_blocks_06.inp 165599.60719889469 OK ( 0.28 sec) + dbm_order_N.inp 1910924.8949438124 OK ( 1.50 sec) + test_eri_mme_accuracy.inp - OK ( 1.63 sec) + test_eri_mme_accuracy_longrange.inp - OK ( 0.86 sec) test_eri_mme_accuracy_yukawa.inp - OK ( 0.71 sec) - test_eri_mme_performance.inp - OK ( 1.23 sec) - test_minimax.inp - OK ( 0.54 sec) - test_shg_integrals_01.inp - OK ( 1.25 sec) - test_shg_integrals_02.inp - OK ( 0.55 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/LIBTEST (2 of 47) done in 51.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-libxc (3 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-libxc - H2O-hybrid-b3lyp_libxc_uks.inp -76.41035426581170 OK ( 2.12 sec) - H2O_pbe_libxc_tddfpt-s.inp -17.23116251470402 OK ( 2.92 sec) - H2O_lda_libxc_tddfpt-s.inp -17.13289833455455 OK ( 2.52 sec) - H2O_pbe_libxc_tddfpt-t_uks.inp -17.23116251474714 OK ( 5.36 sec) - H2O-hybrid-b3lyp_libxc.inp -76.41035426581172 OK ( 1.50 sec) - H2O-hybrid-wb97mv-libxc.inp -76.39611446074747 OK ( 5.09 sec) - H2O-hybrid-cam-lda0.inp -76.47215215214992 OK ( 1.43 sec) - H2O_lda_libxc_tddfpt-t_uks.inp -17.13289833455846 OK ( 4.72 sec) - H2O-tpssx_libxc.inp -33.88300963208589 OK ( 1.22 sec) - diamond_br89_libxc_uks.inp -11.06630465114343 OK ( 8.56 sec) - diamond_br89_libxc.inp -11.06581270880674 OK ( 5.96 sec) - H2O-tpss_lsd.inp -34.34060245665994 OK ( 4.13 sec) - H2O-hybrid-wb97x2lp-libxc.inp -16.89949370064003 OK ( 3.46 sec) - H2O-hybrid-wb97x2tqz-libxc.inp -16.91942374569852 OK ( 3.27 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-libxc (3 of 47) done in 61.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-hfx-periodic (4 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-hfx-periodic - H2O-trunc-2.inp -75.99943504501110 OK ( 1.45 sec) - H2O-trunc-auto.inp -75.99943504501118 OK ( 1.61 sec) - H2O-coul-0.inp -76.02314790926960 OK ( 1.03 sec) - H2O-trunc-auto-md.inp -0.752385976642E+02 OK ( 5.03 sec) - CH3-trunc-auto.inp -39.13005530688501 OK ( 4.04 sec) - CH3-trunc-1.inp -39.36116309682906 OK ( 3.75 sec) - CH3-trunc-auto-md.inp -0.387264301986E+02 OK ( 7.93 sec) - CH3-coul-0.inp -39.39910229689106 OK ( 3.65 sec) - h2o-respa.inp -76.02310918726116 OK ( 12.28 sec) - h2o-respa_restart.inp -76.02267217092374 OK ( 7.51 sec) - H2O-id-auto.inp -88.00800458675081 OK ( 2.13 sec) - graphene_periodic_XY.inp -77.25992466324720 OK ( 1.94 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-hfx-periodic (4 of 47) done in 62.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/ATOM/regtest-2 (5 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/ATOM/regtest-2 - H.inp -0.499999999830 OK ( 0.39 sec) - He_1.inp -1.399307796698 OK ( 0.02 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 ( 0.02 sec) - F_1.inp -24.171954774816 OK ( 0.05 sec) - F_2.inp -24.171954774816 OK ( 0.04 sec) - F_3.inp -24.171954774816 OK ( 0.05 sec) - F_4.inp -23.517790822115 OK ( 0.05 sec) - F_5.inp -23.437623684262 OK ( 0.03 sec) - U.inp -25598.253318868796 OK ( 2.18 sec) - Ru.inp -15.9518066199 OK ( 1.16 sec) - Ru_basis.inp -15.951806619855 OK ( 0.11 sec) - Ru_conf.inp -15.9897774741 OK ( 2.24 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 ( 0.03 sec) - atom_5.inp -0.462506882641 OK ( 0.04 sec) - atom_c1.inp -0.460470116001 OK ( 0.01 sec) - atom_c2.inp -0.348633649362 OK ( 0.01 sec) - atom_c3.inp -0.460470116001 OK ( 0.01 sec) - atom_c4.inp -0.038182392054 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 ( 0.13 sec) + test_eri_mme_performance.inp - OK ( 1.12 sec) + test_minimax.inp - OK ( 0.32 sec) + test_shg_integrals_01.inp - OK ( 1.59 sec) + test_shg_integrals_02.inp - OK ( 0.54 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/LIBTEST (2 of 47) done in 96.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-libxc (3 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-libxc + H2O-hybrid-b3lyp_libxc_uks.inp -76.41035426581170 OK ( 2.36 sec) + H2O_pbe_libxc_tddfpt-s.inp -17.23116251470401 OK ( 2.98 sec) + H2O_lda_libxc_tddfpt-s.inp -17.13289833455456 OK ( 3.33 sec) + H2O_pbe_libxc_tddfpt-t_uks.inp -17.23116251474714 OK ( 11.21 sec) + H2O-hybrid-b3lyp_libxc.inp -76.41035426581172 OK ( 7.53 sec) + H2O-hybrid-wb97mv-libxc.inp -76.39611446074748 OK ( 30.83 sec) + H2O-hybrid-cam-lda0.inp -76.47215215214993 OK ( 6.95 sec) + H2O_lda_libxc_tddfpt-t_uks.inp -17.13289833455846 OK ( 16.10 sec) + H2O-tpssx_libxc.inp -33.88300963208587 OK ( 4.74 sec) + diamond_br89_libxc_uks.inp -11.06630465114343 OK ( 22.15 sec) + diamond_br89_libxc.inp -11.06581270880671 OK ( 15.65 sec) + H2O-tpss_lsd.inp -34.34060245665995 OK ( 29.68 sec) + H2O-hybrid-wb97x2lp-libxc.inp -16.89949370064004 OK ( 14.48 sec) + H2O-hybrid-wb97x2tqz-libxc.inp -16.91942374569851 OK ( 19.47 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-libxc (3 of 47) done in 206.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-hfx-periodic (4 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-hfx-periodic + H2O-trunc-2.inp -75.99943504501111 OK ( 11.23 sec) + H2O-trunc-auto.inp -75.99943504501114 OK ( 7.26 sec) + H2O-coul-0.inp -76.02314790926960 OK ( 6.34 sec) + H2O-trunc-auto-md.inp -0.752385976642E+02 OK ( 19.85 sec) + CH3-trunc-auto.inp -39.13005530688503 OK ( 10.88 sec) + CH3-trunc-1.inp -39.36116309682905 OK ( 21.45 sec) + CH3-trunc-auto-md.inp -0.387264301986E+02 OK ( 33.91 sec) + CH3-coul-0.inp -39.39910229689107 OK ( 13.60 sec) + h2o-respa.inp -76.02310918726110 OK ( 50.16 sec) + h2o-respa_restart.inp -76.02267217092377 OK ( 47.92 sec) + H2O-id-auto.inp -88.00800458675093 OK ( 15.92 sec) + graphene_periodic_XY.inp -77.25992466324720 OK ( 4.61 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-hfx-periodic (4 of 47) done in 263.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/ATOM/regtest-2 (5 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/ATOM/regtest-2 + H.inp -0.499999999830 OK ( 0.33 sec) + He_1.inp -1.399307796698 OK ( 0.11 sec) + He_2.inp -1.336212351224 OK ( 0.03 sec) + He_3.inp -1.416270865184 OK ( 0.03 sec) + He_5.inp -1.408879880907 OK ( 0.03 sec) + F_1.inp -24.171954774816 OK ( 0.14 sec) + F_2.inp -24.171954774816 OK ( 0.10 sec) + F_3.inp -24.171954774816 OK ( 0.26 sec) + F_4.inp -23.517790822115 OK ( 0.45 sec) + F_5.inp -23.437623684262 OK ( 0.49 sec) + U.inp -25598.253318868796 OK ( 9.27 sec) + Ru.inp -15.9518066199 OK ( 2.91 sec) + Ru_basis.inp -15.951806619855 OK ( 0.27 sec) + Ru_conf.inp -15.9897774741 OK ( 15.36 sec) + atom_1.inp -0.462506882641 OK ( 0.22 sec) + atom_2.inp -0.356859139125 OK ( 0.22 sec) + atom_3.inp -0.462506882641 OK ( 0.28 sec) + atom_4.inp -0.146531730136 OK ( 0.28 sec) + atom_5.inp -0.462506882641 OK ( 0.31 sec) + atom_c1.inp -0.460470116001 OK ( 0.08 sec) + atom_c2.inp -0.348633649362 OK ( 0.19 sec) + atom_c3.inp -0.460470116001 OK ( 0.26 sec) + atom_c4.inp -0.038182392054 OK ( 0.12 sec) + atom_c5.inp -0.460470116001 OK ( 0.20 sec) + slater_0.inp -2.847630187388 OK ( 0.07 sec) + slater_1.inp -526.292493965898 OK ( 0.06 sec) + slater_2.inp -24.243036046117 OK ( 0.75 sec) slater_3.inp -2.838751324071 OK ( 0.01 sec) - slater_4.inp 8.063992740899 OK ( 0.02 sec) - slater_5.inp 109583.1142107928 OK ( 0.29 sec) - slater_6.inp 3762956.0633395291 OK ( 0.09 sec) - slater_7.inp -2.8616551305 OK ( 0.42 sec) - slater_8.inp -0.1875976021 OK ( 0.04 sec) - slater_9.inp -525.7615443522 OK ( 0.07 sec) - slater_10.inp -2.841058209720 OK ( 0.01 sec) - Hg.inp -19601.624766751065 OK ( 2.12 sec) - C.inp -37.799871796427 OK ( 0.53 sec) - C_ADMM.inp -37.758721798836 OK ( 0.39 sec) - C_tpss.inp -37.801438870459 OK ( 0.17 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/ATOM/regtest-2 (5 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-2026-05-15_10-21-11/tests/QS/regtest-ri-rpa (6 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-ri-rpa - RI_RPA_H2O.inp -17.145691221376190 OK ( 4.61 sec) - RI_RPA_H2O_overlap_metric.inp -17.145538849244087 OK ( 4.28 sec) - RI_RPA_CH3.inp -7.415612316029163 OK ( 7.01 sec) - RI_RPA_H2O_SYRK.inp -17.145691221376193 OK ( 10.17 sec) - RI_RPA_minimax_H_atom.inp -0.510122901484697 OK ( 6.34 sec) - RI_RPA_H2O_minimax.inp -17.145691263471385 OK ( 7.79 sec) - RI_RPA_H2O_PBE0.inp -17.122863632433702 OK ( 8.50 sec) - RI_RPA_H2O_PBE0_ADMM1.inp -17.125217824055706 OK ( 8.10 sec) - RI_RPA_H2O_Obara_Saika.inp -17.160204463745387 OK ( 3.29 sec) - RI_RPA_H2O_svd.inp -17.145691221376179 OK ( 6.26 sec) - RI_RPA_H2O_overlap_metric_svd.inp -17.145530117968338 OK ( 6.49 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-ri-rpa (6 of 47) done in 82.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/MC/regtest (7 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/MC/regtest - MC_QS.inp -51.34794469 OK ( 3.01 sec) - MC_QS_restart.inp -51.34909000 OK ( 6.12 sec) - GEMC_NpT_box1.inp 0.49826574 OK ( 5.36 sec) - GEMC_NVT_box1.inp 0.49803069 OK ( 2.55 sec) - GEMC_swap_box1.inp 0.55872200 OK ( 6.95 sec) - canonical.inp 0.55333815 OK ( 2.54 sec) - canonical_bias.inp 0.38566238 OK ( 2.74 sec) - virial.inp -.723498E+03 OK ( 3.93 sec) - hmc.inp -2.49775342 OK ( 21.63 sec) - MC_QS_cluster.inp -123.50714373283505 OK ( 45.75 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/MC/regtest (7 of 47) done in 111.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-lvlshift (8 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-lvlshift - c2h2-gpw-inverse.inp -12.47387109223699 OK ( 6.29 sec) - c2h2-gpw-inverse.inp 0.261219 OK ( 4.25 sec) - c2h2-gpw-off.inp -12.47387109223698 OK ( 4.26 sec) - c2h2-gpw-off.inp 0.261219 OK ( 4.17 sec) - c2h2-gpw-reduce.inp -12.47387109223699 OK ( 5.11 sec) - c2h2-gpw-reduce.inp 0.261219 OK ( 4.23 sec) - c2h2-gpw-restore.inp -12.47387109223698 OK ( 6.39 sec) - c2h2-gpw-restore.inp 0.261219 OK ( 4.43 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-lvlshift (8 of 47) done in 44.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/DFTB/regtest-nonscc (9 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/DFTB/regtest-nonscc - ch2o-1.inp -5.82072731467941 OK ( 0.08 sec) - ch2o-2.inp -5.82159061359821 OK ( 0.19 sec) - ch2o-3.inp -5.81373413468792 OK ( 0.07 sec) + slater_4.inp 8.063992740899 OK ( 0.05 sec) + slater_5.inp 109583.1142107928 OK ( 0.51 sec) + slater_6.inp 3762956.0633395291 OK ( 0.22 sec) + slater_7.inp -2.8616551305 OK ( 1.81 sec) + slater_8.inp -0.1875976021 OK ( 0.21 sec) + slater_9.inp -525.7615443522 OK ( 0.23 sec) + slater_10.inp -2.841058209720 OK ( 0.04 sec) + Hg.inp -19601.624766751065 OK ( 3.07 sec) + C.inp -37.799871796427 OK ( 0.37 sec) + C_ADMM.inp -37.758721798836 OK ( 0.35 sec) + C_tpss.inp -37.801438870459 OK ( 0.32 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/ATOM/regtest-2 (5 of 47) done in 109.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-ri-rpa (6 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-ri-rpa + RI_RPA_H2O.inp -17.145691221376193 OK ( 26.04 sec) + RI_RPA_H2O_overlap_metric.inp -17.145538849244087 OK ( 20.23 sec) + RI_RPA_CH3.inp -7.415612316029165 OK ( 24.67 sec) + RI_RPA_H2O_SYRK.inp -17.145691221376190 OK ( 30.99 sec) + RI_RPA_minimax_H_atom.inp -0.510122901484697 OK ( 7.94 sec) + RI_RPA_H2O_minimax.inp -17.145691263471377 OK ( 43.83 sec) + RI_RPA_H2O_PBE0.inp -17.122863632433699 OK ( 85.66 sec) + RI_RPA_H2O_PBE0_ADMM1.inp -17.125217824055682 OK ( 72.48 sec) + RI_RPA_H2O_Obara_Saika.inp -17.160204463745167 OK ( 15.13 sec) + RI_RPA_H2O_svd.inp -17.145691221376172 OK ( 72.11 sec) + RI_RPA_H2O_overlap_metric_svd.inp -17.145530117968338 OK ( 73.24 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-ri-rpa (6 of 47) done in 492.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/MC/regtest (7 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/MC/regtest + MC_QS.inp -51.34794469 OK ( 5.61 sec) + MC_QS_restart.inp -51.34909000 OK ( 7.17 sec) + GEMC_NpT_box1.inp 0.49826574 OK ( 2.85 sec) + GEMC_NVT_box1.inp 0.49803069 OK ( 8.60 sec) + GEMC_swap_box1.inp 0.55872200 OK ( 12.91 sec) + canonical.inp 0.55333815 OK ( 1.51 sec) + canonical_bias.inp 0.38566238 OK ( 0.55 sec) + virial.inp -.723498E+03 OK ( 2.28 sec) + hmc.inp -2.49775342 OK ( 36.71 sec) + MC_QS_cluster.inp -123.50714373283500 OK ( 55.59 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/MC/regtest (7 of 47) done in 154.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-lvlshift (8 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-lvlshift + c2h2-gpw-inverse.inp -12.47387109223699 OK ( 4.39 sec) + c2h2-gpw-inverse.inp 0.261219 OK ( 4.50 sec) + c2h2-gpw-off.inp -12.47387109223698 OK ( 4.77 sec) + c2h2-gpw-off.inp 0.261219 OK ( 4.96 sec) + c2h2-gpw-reduce.inp -12.47387109223698 OK ( 5.12 sec) + c2h2-gpw-reduce.inp 0.261219 OK ( 4.35 sec) + c2h2-gpw-restore.inp -12.47387109223699 OK ( 4.66 sec) + c2h2-gpw-restore.inp 0.261219 OK ( 4.81 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-lvlshift (8 of 47) done in 44.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/DFTB/regtest-nonscc (9 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/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) + h2-1.inp -0.70875565358819 OK ( 0.13 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 ( 0.69 sec) - h2o-32_2.inp -131.07999691054354 OK ( 0.64 sec) - h2o-32_3.inp -131.07520911566399 OK ( 0.25 sec) - h2o-32_4.inp -131.07520911521181 OK ( 1.88 sec) - MoS.inp -2.99616182900092 OK ( 0.17 sec) + h2o-32_1.inp -131.08636939008764 OK ( 0.52 sec) + h2o-32_2.inp -131.07999691054354 OK ( 0.46 sec) + h2o-32_3.inp -131.07520911566399 OK ( 0.55 sec) + h2o-32_4.inp -131.07520911521181 OK ( 2.47 sec) + MoS.inp -2.99616182900092 OK ( 0.18 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 ( 0.25 sec) - h2o-32_atprop.inp -131.08636939008764 OK ( 0.44 sec) + ch2o_atprop.inp -5.81281420275335 OK ( 0.04 sec) + MoS_atprop.inp -2.99616182900092 OK ( 0.19 sec) + h2o-32_atprop.inp -131.08636939008764 OK ( 0.37 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 ( 0.37 sec) - si_kp2.inp - OK ( 3.18 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/DFTB/regtest-nonscc (9 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-2026-05-15_10-21-11/tests/QS/regtest-tddfpt (10 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-tddfpt - H2O_tddfpt-s-1.inp 0.600232E+00 OK ( 0.48 sec) - H2O_tddfpt-t-1.inp 0.289055E+00 OK ( 0.44 sec) - NO_tddfpt-s-1.inp 0.319837E+00 OK ( 3.73 sec) - NO_tddfpt-t-1.inp 0.324319E+00 OK ( 4.02 sec) - H2O_tddfpt-s-2.inp 0.543390E+00 OK ( 0.45 sec) - H2O_tddfpt-t-2.inp 0.548605E+00 OK ( 0.52 sec) - NO_tddfpt-t-2.inp 0.340342E+00 OK ( 21.67 sec) - H2O_tddfpt-s-3.inp 0.543390E+00 OK ( 1.57 sec) - H2O_tddfpt-t-3.inp 0.579030E+00 OK ( 3.06 sec) - NO_tddfpt-s-3.inp 0.326331E+00 OK ( 11.94 sec) - NO_tddfpt-t-3.inp 0.340342E+00 OK ( 12.42 sec) - H2O_tddfpt_NTO.inp 0.542432E+00 OK ( 2.59 sec) - H2O_tddfpt_NTO_slist.inp 0.542432E+00 OK ( 2.76 sec) - H2O_tddfpt_NTO_restart.inp 0.542432E+00 OK ( 1.21 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-tddfpt (10 of 47) done in 79.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-tddfpt-lri (11 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-tddfpt-lri - h2o_lri01_only_es.inp 0.941247E+00 OK ( 9.21 sec) - h2o_lri02_es_and_gs.inp 0.942149E+00 OK ( 16.60 sec) - h2o_hfxlr.inp 0.216753E+00 OK ( 15.34 sec) - h2o_t01.inp 0.247964E+00 OK ( 9.66 sec) - h2o_t02.inp 0.236972E+00 OK ( 8.18 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-tddfpt-lri (11 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-2026-05-15_10-21-11/tests/QMMM/DFTB/regtest (12 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QMMM/DFTB/regtest - wdim_scc.inp -4.071762227106625 OK ( 0.07 sec) - wdim_nonscc.inp -4.103196491657342 OK ( 0.06 sec) - wdimmc_scc.inp -4.073207386660247 OK ( 0.05 sec) - wdimmc_nonscc.inp -4.104297786205957 OK ( 0.04 sec) - epc_1.inp -4.071784048619485 OK ( 0.06 sec) - epc_2.inp -4.071742011375123 OK ( 0.30 sec) - epc_3.inp -4.103221098162718 OK ( 0.05 sec) - epc_4.inp -4.071792193944630 OK ( 0.07 sec) - fdeb_1.inp - OK ( 2.39 sec) - fdeb_2.inp - OK ( 2.52 sec) - fdeb_3.inp - OK ( 1.13 sec) - fdeb_4.inp - OK ( 4.14 sec) - fdeb_5.inp - OK ( 2.43 sec) - fdeb_6.inp - OK ( 6.88 sec) - fdeb_7.inp - OK ( 14.30 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QMMM/DFTB/regtest (12 of 47) done in 46.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-ri-mp2 (13 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-ri-mp2 - RI_MP2_H2O.inp -17.182557666877443 OK ( 12.40 sec) - RI_MP2_H2O_MME.inp -17.054236987683787 OK ( 3.15 sec) - RI_MP2_H2O_NONORTHO_MME.inp -17.056851399834574 OK ( 6.18 sec) - RI_MP2_CH3.inp -7.284101370683139 OK ( 3.76 sec) - RI_MP2_CH3_single_group.inp -7.284101370683139 OK ( 3.90 sec) - RI_MP2_CH3_auto.inp -7.283986189880404 OK ( 4.00 sec) - RI_MP2_H2O_svd.inp -17.049485626821841 OK ( 2.73 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-ri-mp2 (13 of 47) done in 42.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-hirshfeld (14 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-hirshfeld - htest_1.inp -17.14603641519600 OK ( 0.50 sec) - htest_2.inp -17.14603641519600 OK ( 0.27 sec) - htest_3.inp -17.14603641519600 OK ( 0.32 sec) - htest_4.inp -17.14603641519600 OK ( 0.25 sec) - htest_5.inp -17.14603641519600 OK ( 0.21 sec) - htest_6.inp -17.14603641519600 OK ( 0.28 sec) - htest_7.inp -17.13771713041178 OK ( 0.34 sec) - htest_8.inp -17.13771713041178 OK ( 0.27 sec) - htest_9.inp -17.13771713041177 OK ( 0.31 sec) - hlsd_1.inp -16.81101156813313 OK ( 0.48 sec) - hlsd_2.inp -16.81101156813313 OK ( 0.44 sec) - hlsd_3.inp -16.81101156813313 OK ( 0.39 sec) - hlsd_4.inp -16.81101156813313 OK ( 0.43 sec) - hlsd_5.inp -16.81101156813314 OK ( 0.58 sec) - hlsd_6.inp -16.80070757658132 OK ( 0.47 sec) - hlsd_7.inp -16.80070757658132 OK ( 0.46 sec) - hlsd_8.inp -16.80070757658133 OK ( 0.58 sec) - hlsd_9.inp -16.80070757658133 OK ( 0.55 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-hirshfeld (14 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-2026-05-15_10-21-11/tests/QS/regtest-gpw-2-1 (15 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-gpw-2-1 - H2-vib.inp 3855.524137 OK ( 3.59 sec) - H2-vib_tc.inp -5.75148845 OK ( 5.02 sec) - N2_raman.inp 2662.743559 OK ( 12.57 sec) - H2O-2.inp -17.14619644944913 OK ( 0.46 sec) - H2O-3.inp -17.14553123442894 OK ( 0.54 sec) - H2O-4.inp -17.14677584577025 OK ( 0.47 sec) + si_kp2.inp - OK ( 4.13 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/DFTB/regtest-nonscc (9 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-2025-04-13_07-26-31/tests/QS/regtest-tddfpt (10 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-tddfpt + H2O_tddfpt-s-1.inp 0.600232E+00 OK ( 0.74 sec) + H2O_tddfpt-t-1.inp 0.289055E+00 OK ( 0.60 sec) + NO_tddfpt-s-1.inp 0.319837E+00 OK ( 3.86 sec) + NO_tddfpt-t-1.inp 0.324319E+00 OK ( 3.55 sec) + H2O_tddfpt-s-2.inp 0.543390E+00 OK ( 0.62 sec) + H2O_tddfpt-t-2.inp 0.548605E+00 OK ( 0.82 sec) + NO_tddfpt-t-2.inp 0.340342E+00 OK ( 3.23 sec) + H2O_tddfpt-s-3.inp 0.543390E+00 OK ( 0.45 sec) + H2O_tddfpt-t-3.inp 0.579030E+00 OK ( 1.02 sec) + NO_tddfpt-s-3.inp 0.326331E+00 OK ( 4.39 sec) + NO_tddfpt-t-3.inp 0.340342E+00 OK ( 4.53 sec) + H2O_tddfpt_NTO.inp 0.542432E+00 OK ( 1.59 sec) + H2O_tddfpt_NTO_slist.inp 0.542432E+00 OK ( 2.10 sec) + H2O_tddfpt_NTO_restart.inp 0.542432E+00 OK ( 2.71 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-tddfpt (10 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-2025-04-13_07-26-31/tests/QS/regtest-tddfpt-lri (11 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-tddfpt-lri + h2o_lri01_only_es.inp 0.941247E+00 OK ( 9.86 sec) + h2o_lri02_es_and_gs.inp 0.942149E+00 OK ( 21.12 sec) + h2o_hfxlr.inp 0.216753E+00 OK ( 13.07 sec) + h2o_t01.inp 0.247964E+00 OK ( 6.65 sec) + h2o_t02.inp 0.236972E+00 OK ( 7.63 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-tddfpt-lri (11 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-2025-04-13_07-26-31/tests/QMMM/DFTB/regtest (12 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QMMM/DFTB/regtest + wdim_scc.inp -4.071762227106625 OK ( 0.35 sec) + wdim_nonscc.inp -4.103196491657342 OK ( 0.13 sec) + wdimmc_scc.inp -4.073207386660247 OK ( 0.35 sec) + wdimmc_nonscc.inp -4.104297786205957 OK ( 0.43 sec) + epc_1.inp -4.071784048619485 OK ( 0.18 sec) + epc_2.inp -4.071742011375123 OK ( 0.34 sec) + epc_3.inp -4.103221098162718 OK ( 0.19 sec) + epc_4.inp -4.071792193944630 OK ( 0.68 sec) + fdeb_1.inp - OK ( 4.20 sec) + fdeb_2.inp - OK ( 6.40 sec) + fdeb_3.inp - OK ( 1.80 sec) + fdeb_4.inp - OK ( 7.71 sec) + fdeb_5.inp - OK ( 3.90 sec) + fdeb_6.inp - OK ( 13.09 sec) + fdeb_7.inp - OK ( 15.39 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QMMM/DFTB/regtest (12 of 47) done in 79.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-ri-mp2 (13 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-ri-mp2 + RI_MP2_H2O.inp -17.182557666877450 OK ( 13.17 sec) + RI_MP2_H2O_MME.inp -17.054236987683787 OK ( 3.25 sec) + RI_MP2_H2O_NONORTHO_MME.inp -17.056851399834589 OK ( 9.28 sec) + RI_MP2_CH3.inp -7.284101370683138 OK ( 6.69 sec) + RI_MP2_CH3_single_group.inp -7.284101370683140 OK ( 5.50 sec) + RI_MP2_CH3_auto.inp -7.283986189880403 OK ( 4.99 sec) + RI_MP2_H2O_svd.inp -17.049485626821845 OK ( 5.87 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-ri-mp2 (13 of 47) done in 57.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-hirshfeld (14 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-hirshfeld + htest_1.inp -17.14603641519600 OK ( 0.33 sec) + htest_2.inp -17.14603641519600 OK ( 1.86 sec) + htest_3.inp -17.14603641519600 OK ( 0.89 sec) + htest_4.inp -17.14603641519600 OK ( 0.62 sec) + htest_5.inp -17.14603641519599 OK ( 0.85 sec) + htest_6.inp -17.14603641519600 OK ( 1.88 sec) + htest_7.inp -17.13771713041178 OK ( 0.72 sec) + htest_8.inp -17.13771713041178 OK ( 0.66 sec) + htest_9.inp -17.13771713041178 OK ( 0.59 sec) + hlsd_1.inp -16.81101156813313 OK ( 1.44 sec) + hlsd_2.inp -16.81101156813314 OK ( 1.29 sec) + hlsd_3.inp -16.81101156813314 OK ( 0.72 sec) + hlsd_4.inp -16.81101156813313 OK ( 1.01 sec) + hlsd_5.inp -16.81101156813313 OK ( 0.43 sec) + hlsd_6.inp -16.80070757658134 OK ( 1.12 sec) + hlsd_7.inp -16.80070757658133 OK ( 1.51 sec) + hlsd_8.inp -16.80070757658133 OK ( 0.87 sec) + hlsd_9.inp -16.80070757658133 OK ( 0.69 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-hirshfeld (14 of 47) done in 34.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-gpw-2-1 (15 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-gpw-2-1 + H2-vib.inp 3855.524137 OK ( 8.74 sec) + H2-vib_tc.inp -5.75148845 OK ( 4.57 sec) + N2_raman.inp 2662.743559 OK ( 11.86 sec) + H2O-2.inp -17.14619644944913 OK ( 0.73 sec) + H2O-3.inp -17.14553123442894 OK ( 0.78 sec) + H2O-4.inp -17.14677584577025 OK ( 0.50 sec) ZrO.inp -62.20561057734394 OK ( 0.29 sec) - Ar-12.inp -21.04251999575908 OK ( 0.55 sec) - Ar-13.inp -21.12624107439709 OK ( 0.53 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-gpw-2-1 (15 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-2026-05-15_10-21-11/tests/QMMM/QS/regtest-2-erf (16 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QMMM/QS/regtest-2-erf - H2O-qmmm-gauss-14-geep-2.inp -12.90417644796693 OK ( 0.22 sec) - H2O-qmmm-gauss-14-geep-3.inp -12.90712061196072 OK ( 0.17 sec) - H2O-qmmm-gauss-14-geep-4.inp -12.90733560862246 OK ( 0.24 sec) - H2O-qmmm-gauss-14-geep-5.inp -12.92642686633919 OK ( 0.23 sec) - H2O-qmmm-gauss-14-geep-6.inp -12.92230602230405 OK ( 0.23 sec) - H2O-qmmm-gauss-14-geep-7.inp -12.91849696653665 OK ( 0.44 sec) - H2O-qmmm-gauss-14-geep-8.inp -12.91621682584685 OK ( 0.27 sec) - H2O-qmmm-gauss-14-geep-9.inp -12.91437166178601 OK ( 0.45 sec) - H2O-qmmm-gauss-14-geep-10.inp -12.91328069126082 OK ( 0.79 sec) - H2O-qmmm-gauss-14-geep-11.inp -12.91297474165068 OK ( 0.52 sec) - H2O-qmmm-gauss-14-geep-12.inp -12.91332340555362 OK ( 0.31 sec) - H2O-qmmm-gauss-14-geep-13.inp -12.91325023093564 OK ( 0.50 sec) - H2O-qmmm-gauss-14-geep-14.inp -12.91299456139048 OK ( 1.51 sec) - H2O-qmmm-gauss-14-geep-15.inp -12.91325018773841 OK ( 1.85 sec) - H2O-qmmm-gauss-14-geep-16.inp -12.91325925146547 OK ( 1.30 sec) - H2O-qmmm-gauss-14-geep-17.inp -12.91336718382167 OK ( 0.97 sec) - H2O-qmmm-gauss-14-geep-18.inp -12.91336753631512 OK ( 1.36 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QMMM/QS/regtest-2-erf (16 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-2026-05-15_10-21-11/tests/QS/regtest-dm-ls-scf-4 (17 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-dm-ls-scf-4 - H2O-dft-ls-DEFAULTS.inp -17.031737705912356 OK ( 0.64 sec) - H2O-dft-ls-NEWTONSCHULZ.inp -17.031737705912359 OK ( 0.70 sec) - H2O-dft-ls-PROOT3.inp -17.031737715859990 OK ( 0.68 sec) - H2O-dft-ls-PROOT4.inp -17.031737702677937 OK ( 0.72 sec) - H2O-dft-ls-PROOT5.inp -17.031737600352216 OK ( 0.71 sec) - H2O-dft-ls-NEWTONSCHULZ3.inp -17.031737706156232 OK ( 0.73 sec) - H2O-dft-ls-NEWTONSCHULZ4.inp -17.031737706156228 OK ( 1.12 sec) - H2O-dft-ls-NEWTONSCHULZ5.inp -17.031737706156228 OK ( 0.46 sec) - H2O-dft-ls-NEWTONSCHULZ6.inp -17.031737706156157 OK ( 0.53 sec) - H2O-dft-ls-NEWTONSCHULZ7.inp -17.031737706162673 OK ( 0.45 sec) - H2O-dft-ls-NEWTONSCHULZ-SYMMETRIC.inp -17.031737705912356 OK ( 0.41 sec) - H2O-dft-ls-SUBMATRIX-NS.inp -17.031737705912356 OK ( 0.60 sec) - H2O-dft-ls-SUBMATRIX-NS3.inp -17.031737706156235 OK ( 0.69 sec) - H2O-dft-ls-SUBMATRIX-DIRECT.inp -17.031737706156235 OK ( 0.41 sec) - H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ.inp -17.031737706156235 OK ( 0.40 sec) - H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp -17.031737706156235 OK ( 0.56 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-dm-ls-scf-4 (17 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-2026-05-15_10-21-11/tests/QS/regtest-ps-implicit-2-3 (18 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-ps-implicit-2-3 - H2O_mixed_periodic_cuboidal.inp -17.23631232134669 OK ( 16.68 sec) - H2O_mixed_periodic_cylindrical.inp -17.32193400041632 OK ( 17.53 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-ps-implicit-2-3 (18 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-2026-05-15_10-21-11/tests/QS/regtest-polar (19 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-polar - h2o_LRraman.inp 0.006179870499 OK ( 1.53 sec) - h2o_LRraman_loc.inp 0.009267643345 OK ( 15.32 sec) - h2o_LRraman_noort.inp 0.020215112241 OK ( 4.34 sec) - H2O_md_polar.inp 0.619262469032 OK ( 18.54 sec) - xTB_LRraman.inp 0.807352993847 OK ( 0.17 sec) - xTB_LRraman_loc.inp 0.807352993847 OK ( 0.18 sec) - h2o_LRraman_LRI.inp 0.004283825602 OK ( 3.83 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-polar (19 of 47) done in 51.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-hfx-stress (20 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-hfx-stress - ch3-admm.inp -7.17220679359E+04 OK ( 10.29 sec) - ch3.inp 2.83902802206E+05 OK ( 8.23 sec) - ch4-admm.inp -7.10694854542E+04 OK ( 16.09 sec) - h2o.inp 1.26297506368E+05 OK ( 4.01 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-hfx-stress (20 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-2026-05-15_10-21-11/tests/QMMM/QS/regtest-gapw (21 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QMMM/QS/regtest-gapw - C11H24-qmmmgapwall-gauss-0.inp -156.88271046728133 OK ( 2.42 sec) - C11H24-qmmmgapw-gauss-0.inp -28.0421973526 OK ( 1.32 sec) - H2O-qmmm-gapw-fdbg.inp -15.85173442489611 OK ( 7.48 sec) - H2O-qmmm-hfx.inp -0.176043379384E+02 OK ( 4.96 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QMMM/QS/regtest-gapw (21 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-2026-05-15_10-21-11/tests/QMMM/SE/regtest_2 (22 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QMMM/SE/regtest_2 - nh3_g4x6_excl_mm.inp -0.913069017786E+01 OK ( 0.91 sec) - nh3_g4x6_excl_qm.inp -0.913127863162E+01 OK ( 0.90 sec) - water_colv_excl_mm.inp -0.128071776255E+02 OK ( 1.19 sec) - water_colv_excl_qm.inp -0.128078086386E+02 OK ( 0.39 sec) - water_fixd_excl_mm.inp -0.128094856912E+02 OK ( 0.28 sec) + Ar-12.inp -21.04251999575907 OK ( 0.49 sec) + Ar-13.inp -21.12624107439710 OK ( 0.47 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-gpw-2-1 (15 of 47) done in 34.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QMMM/QS/regtest-2-erf (16 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QMMM/QS/regtest-2-erf + H2O-qmmm-gauss-14-geep-2.inp -12.90417644796693 OK ( 0.15 sec) + H2O-qmmm-gauss-14-geep-3.inp -12.90712061196072 OK ( 0.98 sec) + H2O-qmmm-gauss-14-geep-4.inp -12.90733560862247 OK ( 0.19 sec) + H2O-qmmm-gauss-14-geep-5.inp -12.92642686633919 OK ( 0.17 sec) + H2O-qmmm-gauss-14-geep-6.inp -12.92230602230405 OK ( 0.16 sec) + H2O-qmmm-gauss-14-geep-7.inp -12.91849696653665 OK ( 0.18 sec) + H2O-qmmm-gauss-14-geep-8.inp -12.91621682584685 OK ( 0.15 sec) + H2O-qmmm-gauss-14-geep-9.inp -12.91437166178601 OK ( 0.21 sec) + H2O-qmmm-gauss-14-geep-10.inp -12.91328069126082 OK ( 0.16 sec) + H2O-qmmm-gauss-14-geep-11.inp -12.91297474165068 OK ( 0.16 sec) + H2O-qmmm-gauss-14-geep-12.inp -12.91332340555362 OK ( 0.18 sec) + H2O-qmmm-gauss-14-geep-13.inp -12.91325023093564 OK ( 0.23 sec) + H2O-qmmm-gauss-14-geep-14.inp -12.91299456139048 OK ( 0.32 sec) + H2O-qmmm-gauss-14-geep-15.inp -12.91325018773842 OK ( 0.75 sec) + H2O-qmmm-gauss-14-geep-16.inp -12.91325925146547 OK ( 0.97 sec) + H2O-qmmm-gauss-14-geep-17.inp -12.91336718382167 OK ( 5.35 sec) + H2O-qmmm-gauss-14-geep-18.inp -12.91336753631512 OK ( 1.91 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QMMM/QS/regtest-2-erf (16 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-2025-04-13_07-26-31/tests/QS/regtest-dm-ls-scf-4 (17 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-dm-ls-scf-4 + H2O-dft-ls-DEFAULTS.inp -17.031737705912356 OK ( 0.67 sec) + H2O-dft-ls-NEWTONSCHULZ.inp -17.031737705912356 OK ( 0.63 sec) + H2O-dft-ls-PROOT3.inp -17.031737715859993 OK ( 0.77 sec) + H2O-dft-ls-PROOT4.inp -17.031737702677937 OK ( 0.73 sec) + H2O-dft-ls-PROOT5.inp -17.031737600352216 OK ( 1.08 sec) + H2O-dft-ls-NEWTONSCHULZ3.inp -17.031737706156235 OK ( 6.98 sec) + H2O-dft-ls-NEWTONSCHULZ4.inp -17.031737706156235 OK ( 6.54 sec) + H2O-dft-ls-NEWTONSCHULZ5.inp -17.031737706156235 OK ( 7.35 sec) + H2O-dft-ls-NEWTONSCHULZ6.inp -17.031737706156161 OK ( 5.93 sec) + H2O-dft-ls-NEWTONSCHULZ7.inp -17.031737706162673 OK ( 0.66 sec) + H2O-dft-ls-NEWTONSCHULZ-SYMMETRIC.inp -17.031737705912356 OK ( 2.07 sec) + H2O-dft-ls-SUBMATRIX-NS.inp -17.031737705912356 OK ( 0.67 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 ( 0.61 sec) + H2O-dft-ls-SUBMATRIX-DIRECT-MUADJ-LOWMEM.inp -17.031737706156235 OK ( 0.50 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-dm-ls-scf-4 (17 of 47) done in 54.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-ps-implicit-2-3 (18 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-ps-implicit-2-3 + H2O_mixed_periodic_cuboidal.inp -17.23631232134669 OK ( 28.91 sec) + H2O_mixed_periodic_cylindrical.inp -17.32193400041642 OK ( 23.33 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-ps-implicit-2-3 (18 of 47) done in 57.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-polar (19 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-polar + h2o_LRraman.inp 0.006179870499 OK ( 7.79 sec) + h2o_LRraman_loc.inp 0.009267643345 OK ( 71.92 sec) + h2o_LRraman_noort.inp 0.020215112241 OK ( 27.77 sec) + H2O_md_polar.inp 0.619470373245 OK ( 108.59 sec) + xTB_LRraman.inp 0.807352993847 OK ( 10.18 sec) + xTB_LRraman_loc.inp 0.807352993847 OK ( 2.02 sec) + h2o_LRraman_LRI.inp 0.004283825602 OK ( 29.81 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-polar (19 of 47) done in 274.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-hfx-stress (20 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-hfx-stress + ch3-admm.inp -7.17220679277E+04 OK ( 102.38 sec) + ch3.inp 2.83902802206E+05 OK ( 29.37 sec) + ch4-admm.inp -7.10694854900E+04 OK ( 21.08 sec) + h2o.inp 1.26297506368E+05 OK ( 6.03 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-hfx-stress (20 of 47) done in 166.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QMMM/QS/regtest-gapw (21 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QMMM/QS/regtest-gapw + C11H24-qmmmgapwall-gauss-0.inp -156.88271046728136 OK ( 5.83 sec) + C11H24-qmmmgapw-gauss-0.inp -28.0421973526 OK ( 2.13 sec) + H2O-qmmm-gapw-fdbg.inp -15.85173442489610 OK ( 11.57 sec) + H2O-qmmm-hfx.inp -0.176043379384E+02 OK ( 8.16 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QMMM/QS/regtest-gapw (21 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-2025-04-13_07-26-31/tests/QMMM/SE/regtest_2 (22 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QMMM/SE/regtest_2 + nh3_g4x6_excl_mm.inp -0.913069017786E+01 OK ( 3.61 sec) + nh3_g4x6_excl_qm.inp -0.913127863162E+01 OK ( 0.71 sec) + water_colv_excl_mm.inp -0.128071776255E+02 OK ( 1.08 sec) + water_colv_excl_qm.inp -0.128078086386E+02 OK ( 0.49 sec) + water_fixd_excl_mm.inp -0.128094856912E+02 OK ( 0.42 sec) water_fixd_excl_qm.inp -0.128087667071E+02 OK ( 0.48 sec) - water_g3x3_excl_mm.inp -0.128057061878E+02 OK ( 0.34 sec) - water_g3x3_excl_qm.inp -0.128090813557E+02 OK ( 0.55 sec) - Si_tersoff_qmmm.inp -3418.06809308966831 OK ( 4.36 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QMMM/SE/regtest_2 (22 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-2026-05-15_10-21-11/tests/Fist/regtest-11 (23 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/Fist/regtest-11 - H2O-32_NVT_CSVR_gen1.inp -0.609208076083E+00 OK ( 0.16 sec) - H2O-32_NVT_CSVR_gen2.inp -0.532133592588E+00 OK ( 1.14 sec) - H2O-32_NVT_CSVR_gen3.inp -0.500113893497E+00 OK ( 0.14 sec) - H2O-32_NVT_NOSE_gen_noCNS0.inp -0.492823650978E+00 OK ( 0.21 sec) - H2O-32_NVT_CSVR_gen_noCNS1.inp -0.509272888286E+00 OK ( 0.15 sec) - H2O-32_NVT_CSVR_gen_noCNS1_R.inp -0.458244617541E+00 OK ( 0.22 sec) - H2O-32_NVT_CSVR_gen_noCNS2.inp -0.505086327342E+00 OK ( 0.59 sec) - H2O-32_NVT_CSVR_gen_noCNS2_R.inp -0.448996689945E+00 OK ( 0.14 sec) - H2O-32_NVT_NOSE_gen_noCNS1.inp -0.495791635301E+00 OK ( 0.19 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 ( 0.20 sec) - H2O-32_NVT_NOSE_gen_noCNS2_R.inp -0.470407397710E+00 OK ( 0.15 sec) - H2O-32_NVT_CSVR_gen_noCNS3.inp -0.505086327342E+00 OK ( 0.14 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/Fist/regtest-11 (23 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-2026-05-15_10-21-11/tests/QS/regtest-ot-refine-3 (24 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-ot-refine-3 - h2o_ot_lwdn_on_the_fly_l1.inp -17.13045715683763 OK ( 0.22 sec) - h2o_ot_poly_on_the_fly_l1.inp -17.13045715683763 OK ( 0.24 sec) - o2_ot_lwdn_on_the_fly_l1.inp -31.70815200232891 OK ( 0.42 sec) - o2_ot_poly_on_the_fly_l1.inp -31.70815200232892 OK ( 0.63 sec) - h2o_ot_refine_3.inp -17.08884672065212 OK ( 0.15 sec) - h2o_ot_refine_4.inp -17.11857283464188 OK ( 0.16 sec) - o2_ot_refine_3.inp -31.60858514413052 OK ( 0.26 sec) - o2_ot_refine_4.inp -31.58768162895350 OK ( 0.23 sec) - h2o_ot_precond_1.inp -16.05766867329444 OK ( 0.09 sec) - h2o_ot_precond_2.inp -16.06790080254974 OK ( 0.08 sec) - h2o_ot_precond_3.inp -16.02559849783371 OK ( 0.09 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-2026-05-15_10-21-11/tests/QS/regtest-ot-refine-3 (24 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-2026-05-15_10-21-11/tests/FARMING/regtest-1 (25 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/FARMING/regtest-1 - farming-1.inp - OK ( 1.09 sec) - farming-2.inp - OK ( 0.95 sec) - farming-3.inp - OK ( 1.41 sec) - farming-4.inp - OK ( 1.27 sec) - farming-5.inp - OK ( 0.59 sec) - farming-6.inp - OK ( 0.47 sec) - farming-7.inp - OK ( 0.62 sec) - farming-8.inp - OK ( 0.56 sec) - farming-9.inp - OK ( 0.09 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/FARMING/regtest-1 (25 of 47) done in 13.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-md-lgvregion (26 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-md-lgvregion - langevin_regions-1.inp -34.28350497029995 OK ( 0.79 sec) - langevin_regions-2.inp -34.29678091854694 OK ( 0.80 sec) - langevin_regions-3.inp -34.28350497029994 OK ( 0.70 sec) - langevin_regions-4.inp -34.28727330165906 OK ( 0.87 sec) - langevin_regions-5.inp -34.36743843099325 OK ( 1.03 sec) - langevin_regions-6.inp -34.36335813030995 OK ( 1.01 sec) - langevin_regions-7.inp -34.37404120268138 OK ( 1.21 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-md-lgvregion (26 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-2026-05-15_10-21-11/tests/QMMM/QS/regtest-4 (27 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QMMM/QS/regtest-4 - crys_per_qmmm.inp -0.08375440741138 OK ( 1.62 sec) - crys_per_qmmm_anal.inp -0.03306937253911 OK ( 1.27 sec) - crys_per_qmmm_spln.inp -0.03306936689210 OK ( 1.44 sec) - crys_per_qmmm_none.inp -0.08375440741161 OK ( 0.76 sec) - acn-qmmm-re.inp -14.78512402427754 OK ( 0.40 sec) - acn-conn-1.inp -291.88277950544472 OK ( 3.78 sec) - wat_nacl.inp -16.691503876246994 OK ( 1.69 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QMMM/QS/regtest-4 (27 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-2026-05-15_10-21-11/tests/QS/regtest-all-electron (28 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-all-electron - H2O-xrd.inp -9.9999991403 OK ( 1.03 sec) - H2O-rhotot-cube.inp -9.9999990366 OK ( 1.40 sec) - NO2-rhotot-cube.inp -1.0000002244 OK ( 7.56 sec) - H2O-rho_hard_approx-cube.inp -10.0000390554 OK ( 3.14 sec) - NO2-rho_hard_approx-cube.inp -1.0000006762 OK ( 2.97 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-all-electron (28 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-2026-05-15_10-21-11/tests/QS/regtest-gapw-2 (29 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-gapw-2 - Li-ROKS.inp -7.33891040994162 OK ( 1.05 sec) - NO2-ROKS.inp -203.77833570926873 OK ( 5.36 sec) - C-levelshift.inp -37.44694658478281 OK ( 4.29 sec) - H2-pbe-restart-run.inp -0.60698327541571 OK ( 3.66 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-2026-05-15_10-21-11/tests/QS/regtest-gapw-2 (29 of 47) done in 21.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-mp2-1 (30 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-mp2-1 - H2O-01.inp -76.263035235012211 OK ( 5.01 sec) - Li.inp -7.442887463667667 OK ( 13.39 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-mp2-1 (30 of 47) done in 21.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-hybrid-1 (31 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-hybrid-1 - H2O-hybrid-bhandh.inp -75.90482120088626 OK ( 2.38 sec) - H2O-hybrid-bhandhlyp.inp -76.33558053104205 OK ( 2.20 sec) - H2O-hybrid-pbe0.inp -76.31995335312703 OK ( 1.69 sec) - H2O-hybrid-b3lyp.inp -76.37338940401881 OK ( 1.57 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-hybrid-1 (31 of 47) done in 13.00 sec -Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-optbas (32 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-optbas - H2O-ref.inp -17.02896604845334 OK ( 0.82 sec) - H2-ref.inp -1.11824989194244 OK ( 0.82 sec) - opt-1.inp -.46916008E+03 OK ( 2.62 sec) - opt-2.inp -.55279835E+03 OK ( 2.62 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-optbas (32 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-2026-05-15_10-21-11/tests/QS/regtest-almo-eda (33 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-almo-eda - almo-eda-x.inp -85.963743073058509 OK ( 7.81 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-almo-eda (33 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-2026-05-15_10-21-11/tests/QS/regtest-cdft-3-1 (34 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-cdft-3-1 - HeH-noconstraint.inp -3.01067446615065 OK ( 0.87 sec) - HeH-cdft-state-1.inp 0.048406444545 OK ( 1.16 sec) - HeH-cdft-state-2-reversed.inp -1.819391902440 OK ( 1.65 sec) - HeH-mixed-cdft-reversed-1.inp 616.641603574682 OK ( 0.48 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/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-2026-05-15_10-21-11/tests/QS/regtest-pao-3 (35 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-pao-3 - He_ref.inp -2.889334869153457 OK ( 0.44 sec) - He_pao_initguess_exp.inp -2.888972913350901 OK ( 0.26 sec) - He_pao_initguess_fock.inp -2.888972913350901 OK ( 0.30 sec) - He_pao_initguess_rotinv.inp -2.888972913350901 OK ( 0.35 sec) - He_pao_initguess_gth.inp -2.888972913350901 OK ( 0.37 sec) - He_pao_initguess_equi.inp -2.888972913384499 OK ( 0.48 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/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-2026-05-15_10-21-11/tests/QS/regtest-double-hybrid-2 (36 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-double-hybrid-2 - H2O_B2GPPLYP.inp -76.279036985508753 OK ( 3.43 sec) - H2O_DSD-BLYP.inp -76.311305833143152 OK ( 2.57 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/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-2026-05-15_10-21-11/tests/QS/regtest-sccs-2 (37 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-sccs-2 - H2O_sccs_otdiis_cd5.inp -17.22654049702944 OK ( 16.73 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-sccs-2 (37 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-2026-05-15_10-21-11/tests/QS/regtest-properties/resp (38 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-properties/resp - CH3OH_nonperiodic.inp 4.418290 OK ( 0.30 sec) - CH3OH_periodic.inp 2.456029 OK ( 0.26 sec) - graphite.inp -1.073313 OK ( 1.18 sec) - CH3OH_periodic_repeat.inp -4.871712 OK ( 0.34 sec) - graphite_REPEAT.inp 0.006058 OK ( 0.73 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-properties/resp (38 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-2026-05-15_10-21-11/tests/NEB/regtest-1 (39 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/NEB/regtest-1 - 2gly_B-NEB.inp -0.25722568775266 OK ( 0.87 sec) - 2gly_CI-NEB.inp -0.18925537289820 OK ( 1.21 sec) - 2gly_EB-NEB.inp 49.27319370383207 OK ( 1.14 sec) - 2gly_IT-NEB.inp 0.38518828458623 OK ( 0.69 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/NEB/regtest-1 (39 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-2026-05-15_10-21-11/tests/SE/regtest-3-1 (40 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/SE/regtest-3-1 - H2O-MNDO-2.inp -351.42145109555833 OK ( 0.20 sec) - H-0.inp -0.319258384771667 OK ( 0.04 sec) - H2-0.inp -0.993280881213762 OK ( 0.43 sec) - H2.inp -0.037305167769230 OK ( 0.07 sec) - H2O-MNDO.inp -12.913048351744974 OK ( 0.66 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/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-2026-05-15_10-21-11/tests/optimize_input/regtest-1 (41 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/optimize_input/regtest-1 - argon-ref.inp - OK ( 0.54 sec) - driver.inp 0.1072347063760515E+03 OK ( 1.47 sec) - driver-restart.inp 0.1076965059321606E+03 OK ( 1.42 sec) - driver-stride.inp 0.1072343388958498E+03 OK ( 0.16 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/optimize_input/regtest-1 (41 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-2026-05-15_10-21-11/tests/SWARM/regtest-glbopt-1 (42 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/SWARM/regtest-glbopt-1 - LJ10_minhop_1.inp -0.26595092E-01 OK ( 0.26 sec) - LJ10_minhop_2.inp -0.28422123E-01 OK ( 0.19 sec) - LJ10_mincrawl_1.inp -0.28422152E-01 OK ( 0.71 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/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-2026-05-15_10-21-11/tests/QS/regtest-linearscaling (43 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-linearscaling - test-shrt.inp - OK ( 0.31 sec) - w3-filter.inp -51.14051793253209 OK ( 0.51 sec) - w3-filter-2.inp -78.30555080313511 OK ( 0.18 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-linearscaling (43 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-2026-05-15_10-21-11/tests/FE/regtest-2 (44 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/FE/regtest-2 - Solv_alch_chng.inp -0.732003926645E+01 OK ( 3.62 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/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-2026-05-15_10-21-11/tests/QMMM/QS/regtest-lrigpw (45 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QMMM/QS/regtest-lrigpw - C11H24-qmmm-gauss-0-lrigpw.inp -28.00745026097876 OK ( 0.82 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QMMM/QS/regtest-lrigpw (45 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-2026-05-15_10-21-11/tests/QS/regtest-fftw (46 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-fftw - H2-big-1.inp -28.149134408985866 OK ( 0.70 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/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-2026-05-15_10-21-11/tests/QS/regtest-elpa (47 of 47) ->>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-elpa + water_g3x3_excl_mm.inp -0.128057061878E+02 OK ( 0.51 sec) + water_g3x3_excl_qm.inp -0.128090813557E+02 OK ( 0.64 sec) + Si_tersoff_qmmm.inp -3418.06809308966831 OK ( 8.62 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/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-2025-04-13_07-26-31/tests/Fist/regtest-11 (23 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/Fist/regtest-11 + H2O-32_NVT_CSVR_gen1.inp -0.609208076083E+00 OK ( 0.82 sec) + H2O-32_NVT_CSVR_gen2.inp -0.532133592588E+00 OK ( 0.52 sec) + H2O-32_NVT_CSVR_gen3.inp -0.500113893497E+00 OK ( 0.53 sec) + H2O-32_NVT_NOSE_gen_noCNS0.inp -0.492823650978E+00 OK ( 0.45 sec) + H2O-32_NVT_CSVR_gen_noCNS1.inp -0.509272888286E+00 OK ( 0.74 sec) + H2O-32_NVT_CSVR_gen_noCNS1_R.inp -0.458244617541E+00 OK ( 0.35 sec) + H2O-32_NVT_CSVR_gen_noCNS2.inp -0.505086327342E+00 OK ( 0.46 sec) + H2O-32_NVT_CSVR_gen_noCNS2_R.inp -0.448996689945E+00 OK ( 0.80 sec) + H2O-32_NVT_NOSE_gen_noCNS1.inp -0.495791635301E+00 OK ( 0.44 sec) + H2O-32_NVT_NOSE_gen_noCNS1_R.inp -0.494111874054E+00 OK ( 0.16 sec) + H2O-32_NVT_NOSE_gen_noCNS2.inp -0.484511068410E+00 OK ( 0.38 sec) + H2O-32_NVT_NOSE_gen_noCNS2_R.inp -0.470407397710E+00 OK ( 0.73 sec) + H2O-32_NVT_CSVR_gen_noCNS3.inp -0.505086327342E+00 OK ( 0.49 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/Fist/regtest-11 (23 of 47) done in 21.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-ot-refine-3 (24 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-ot-refine-3 + h2o_ot_lwdn_on_the_fly_l1.inp -17.13045715683762 OK ( 1.60 sec) + h2o_ot_poly_on_the_fly_l1.inp -17.13045715683762 OK ( 0.30 sec) + o2_ot_lwdn_on_the_fly_l1.inp -31.70815200232895 OK ( 0.74 sec) + o2_ot_poly_on_the_fly_l1.inp -31.70815200232892 OK ( 1.00 sec) + h2o_ot_refine_3.inp -17.08884672065212 OK ( 0.50 sec) + h2o_ot_refine_4.inp -17.11857283464188 OK ( 0.29 sec) + o2_ot_refine_3.inp -31.60858514413052 OK ( 0.30 sec) + o2_ot_refine_4.inp -31.58768162895351 OK ( 0.48 sec) + h2o_ot_precond_1.inp -16.05766867329444 OK ( 0.32 sec) + h2o_ot_precond_2.inp -16.06790080254975 OK ( 0.09 sec) + h2o_ot_precond_3.inp -16.02559849783372 OK ( 0.11 sec) + h2o_ot_precond_4.inp -15.85782186391534 OK ( 0.37 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-ot-refine-3 (24 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-2025-04-13_07-26-31/tests/FARMING/regtest-1 (25 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/FARMING/regtest-1 + farming-1.inp - OK ( 1.23 sec) + farming-2.inp - OK ( 0.83 sec) + farming-3.inp - OK ( 1.26 sec) + farming-4.inp - OK ( 1.70 sec) + farming-5.inp - OK ( 1.31 sec) + farming-6.inp - OK ( 1.35 sec) + farming-7.inp - OK ( 2.83 sec) + farming-8.inp - OK ( 1.09 sec) + farming-9.inp - OK ( 0.10 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/FARMING/regtest-1 (25 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-2025-04-13_07-26-31/tests/QS/regtest-md-lgvregion (26 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-md-lgvregion + langevin_regions-1.inp -34.28350497029996 OK ( 1.68 sec) + langevin_regions-2.inp -34.29678091854696 OK ( 1.86 sec) + langevin_regions-3.inp -34.28350497029995 OK ( 3.02 sec) + langevin_regions-4.inp -34.28727330165907 OK ( 8.34 sec) + langevin_regions-5.inp -34.36743843099325 OK ( 2.76 sec) + langevin_regions-6.inp -34.36335813030995 OK ( 13.35 sec) + langevin_regions-7.inp -34.37404120268137 OK ( 1.40 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-md-lgvregion (26 of 47) done in 51.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QMMM/QS/regtest-4 (27 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QMMM/QS/regtest-4 + crys_per_qmmm.inp -0.08375440741138 OK ( 9.85 sec) + crys_per_qmmm_anal.inp -0.03306937253911 OK ( 1.67 sec) + crys_per_qmmm_spln.inp -0.03306936689210 OK ( 1.23 sec) + crys_per_qmmm_none.inp -0.08375440741161 OK ( 16.73 sec) + acn-qmmm-re.inp -14.78512402427546 OK ( 5.58 sec) + acn-conn-1.inp -291.88277950555221 OK ( 9.06 sec) + wat_nacl.inp -16.691503876246987 OK ( 26.88 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QMMM/QS/regtest-4 (27 of 47) done in 82.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-all-electron (28 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-all-electron + H2O-xrd.inp -9.9999991403 OK ( 24.39 sec) + H2O-rhotot-cube.inp -9.9999990366 OK ( 22.42 sec) + NO2-rhotot-cube.inp -1.0000002244 OK ( 34.44 sec) + H2O-rho_hard_approx-cube.inp -10.0000390554 OK ( 13.39 sec) + NO2-rho_hard_approx-cube.inp -1.0000006762 OK ( 17.25 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-all-electron (28 of 47) done in 124.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-gapw-2 (29 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-gapw-2 + Li-ROKS.inp -7.33891040994162 OK ( 14.47 sec) + NO2-ROKS.inp -203.77833570926890 OK ( 19.79 sec) + C-levelshift.inp -37.44694658478281 OK ( 22.58 sec) + H2-pbe-restart-run.inp -0.60698327541571 OK ( 17.21 sec) + H2-pbe-restart-rerun.inp -0.60698327541577 OK ( 4.37 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-gapw-2 (29 of 47) done in 87.00 sec +Starting regression tests in /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-mp2-1 (30 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-mp2-1 + H2O-01.inp -76.263035235012254 OK ( 10.71 sec) + Li.inp -7.442887463667667 OK ( 5.53 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-mp2-1 (30 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-2025-04-13_07-26-31/tests/QS/regtest-hybrid-1 (31 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-hybrid-1 + H2O-hybrid-bhandh.inp -75.90482120088627 OK ( 1.38 sec) + H2O-hybrid-bhandhlyp.inp -76.33558053104204 OK ( 1.38 sec) + H2O-hybrid-pbe0.inp -76.31995335312703 OK ( 1.55 sec) + H2O-hybrid-b3lyp.inp -76.37338940401877 OK ( 1.35 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-hybrid-1 (31 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-2025-04-13_07-26-31/tests/QS/regtest-optbas (32 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-optbas + H2O-ref.inp -17.02896604845334 OK ( 0.70 sec) + H2-ref.inp -1.11824989194244 OK ( 0.52 sec) + opt-1.inp -.46916008E+03 OK ( 2.59 sec) + opt-2.inp -.55279835E+03 OK ( 2.50 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/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-2025-04-13_07-26-31/tests/QS/regtest-almo-eda (33 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-almo-eda + almo-eda-x.inp -85.963743073058524 OK ( 6.88 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-almo-eda (33 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-2025-04-13_07-26-31/tests/QS/regtest-cdft-3-1 (34 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-cdft-3-1 + HeH-noconstraint.inp -3.01067446615065 OK ( 0.86 sec) + HeH-cdft-state-1.inp 0.048406444517 OK ( 5.55 sec) + HeH-cdft-state-2-reversed.inp -1.819391902440 OK ( 4.13 sec) + HeH-mixed-cdft-reversed-1.inp 616.641603574550 OK ( 0.47 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-cdft-3-1 (34 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-2025-04-13_07-26-31/tests/QS/regtest-pao-3 (35 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-pao-3 + He_ref.inp -2.889334869153457 OK ( 0.70 sec) + He_pao_initguess_exp.inp -2.888972913350901 OK ( 0.31 sec) + He_pao_initguess_fock.inp -2.888972913350901 OK ( 0.28 sec) + He_pao_initguess_rotinv.inp -2.888972913350901 OK ( 0.28 sec) + He_pao_initguess_gth.inp -2.888972913350901 OK ( 0.28 sec) + He_pao_initguess_equi.inp -2.888972913384499 OK ( 0.28 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/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-2025-04-13_07-26-31/tests/QS/regtest-double-hybrid-2 (36 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-double-hybrid-2 + H2O_B2GPPLYP.inp -76.279036985508768 OK ( 2.46 sec) + H2O_DSD-BLYP.inp -76.311305833143152 OK ( 2.47 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-double-hybrid-2 (36 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-2025-04-13_07-26-31/tests/QS/regtest-sccs-2 (37 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-sccs-2 + H2O_sccs_otdiis_cd5.inp -17.22654049702944 OK ( 17.75 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-sccs-2 (37 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-2025-04-13_07-26-31/tests/QS/regtest-properties/resp (38 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-properties/resp + CH3OH_nonperiodic.inp 4.418290 OK ( 0.43 sec) + CH3OH_periodic.inp 2.456029 OK ( 0.25 sec) + graphite.inp -1.073313 OK ( 0.66 sec) + CH3OH_periodic_repeat.inp -4.871712 OK ( 0.26 sec) + graphite_REPEAT.inp 0.006058 OK ( 0.69 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/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-2025-04-13_07-26-31/tests/NEB/regtest-1 (39 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/NEB/regtest-1 + 2gly_B-NEB.inp -0.25722568775278 OK ( 1.35 sec) + 2gly_CI-NEB.inp -0.18925537289822 OK ( 0.75 sec) + 2gly_EB-NEB.inp 49.27319370383207 OK ( 0.70 sec) + 2gly_IT-NEB.inp 0.38518828458623 OK ( 0.54 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/NEB/regtest-1 (39 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-2025-04-13_07-26-31/tests/SE/regtest-3-1 (40 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/SE/regtest-3-1 + H2O-MNDO-2.inp -351.42145109555833 OK ( 0.64 sec) + H-0.inp -0.319258384771667 OK ( 0.05 sec) + H2-0.inp -0.993280881213762 OK ( 0.11 sec) + H2.inp -0.037305167769230 OK ( 0.08 sec) + H2O-MNDO.inp -12.913048351744974 OK ( 0.38 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/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-2025-04-13_07-26-31/tests/optimize_input/regtest-1 (41 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/optimize_input/regtest-1 + argon-ref.inp - OK ( 0.14 sec) + driver.inp 0.1072347063760515E+03 OK ( 0.31 sec) + driver-restart.inp 0.1076965059321592E+03 OK ( 0.50 sec) + driver-stride.inp 0.1072343388958498E+03 OK ( 1.67 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/optimize_input/regtest-1 (41 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-2025-04-13_07-26-31/tests/SWARM/regtest-glbopt-1 (42 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/SWARM/regtest-glbopt-1 + LJ10_minhop_1.inp -0.26595092E-01 OK ( 1.71 sec) + LJ10_minhop_2.inp -0.28422123E-01 OK ( 2.40 sec) + LJ10_mincrawl_1.inp -0.28421945E-01 OK ( 5.17 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/SWARM/regtest-glbopt-1 (42 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-2025-04-13_07-26-31/tests/QS/regtest-linearscaling (43 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-linearscaling + test-shrt.inp - OK ( 0.35 sec) + w3-filter.inp -51.14051793253211 OK ( 0.56 sec) + w3-filter-2.inp -78.30555080313512 OK ( 0.17 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/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-2025-04-13_07-26-31/tests/FE/regtest-2 (44 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/FE/regtest-2 + Solv_alch_chng.inp -0.732003926645E+01 OK ( 3.53 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/FE/regtest-2 (44 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-2025-04-13_07-26-31/tests/QMMM/QS/regtest-lrigpw (45 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QMMM/QS/regtest-lrigpw + C11H24-qmmm-gauss-0-lrigpw.inp -28.00745026097488 OK ( 0.87 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/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-2025-04-13_07-26-31/tests/QS/regtest-fftw (46 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-fftw + H2-big-1.inp -28.149134408985866 OK ( 0.69 sec) +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/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-2025-04-13_07-26-31/tests/QS/regtest-elpa (47 of 47) +>>> /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/tests/QS/regtest-elpa H2O-6.inp -17.14603641519600 OK ( 0.20 sec) -<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/tests/QS/regtest-elpa (47 of 47) done in 2.00 sec +<<< /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/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-2026-05-15_10-21-11/summary.txt - regtesting location error_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/error_summary - regtesting location memory_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11/memory_summary - regtesting location output dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2026-05-15_10-21-11 + regtesting location summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/summary.txt + regtesting location error_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/error_summary + regtesting location memory_summary file: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31/memory_summary + regtesting location output dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//TEST-Linux-x86_64-gfortran-psmp-2025-04-13_07-26-31 regtesting location last dir: /build/reproducible-path/cp2k-2025.1/tools/regtesting/../..//LAST-Linux-x86_64-gfortran-psmp --------------------------------- Timings -------------------------------- @@ -68327,22 +68355,22 @@ Total number of tests 404 GREPME 0 0 404 0 404 X -Summary: correct: 404 / 404; 21min +Summary: correct: 404 / 404; 55min Status: OK -------------------------------------------------------------------------- -Regtest took 1243.00 seconds. +Regtest took 3297.00 seconds. -------------------------------------------------------------------------- -Fri May 15 10:41:53 -12 2026 +Sun Apr 13 08:21:27 +14 2025 *************************** 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 -j42 install DESTDIR=/build/reproducible-path/cp2k-2025.1/debian/tmp AM_UPDATE_INFO_DIR=no + make -j40 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: -j42 forced in submake: resetting jobserver mode. +make[1]: warning: -j40 forced in submake: resetting jobserver mode. Discovering programs ... Makefile:295: update target 'install' due to: target is .PHONY echo "" @@ -68370,9 +68398,9 @@ 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-dbgsym' in '../cp2k-dbgsym_2025.1-1.1_amd64.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) @@ -68380,12 +68408,14 @@ 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/2357231/tmp/hooks/B01_cleanup starting +I: user script /srv/workspace/pbuilder/2357231/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/264941 and its subdirectories -I: Current time: Fri May 15 10:43:20 -12 2026 -I: pbuilder-time-stamp: 1778885000 +I: removing directory /srv/workspace/pbuilder/2357231 and its subdirectories +I: Current time: Sun Apr 13 08:23:32 +14 2025 +I: pbuilder-time-stamp: 1744482212